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Chemical ID: 7253497

Chemical ID:

7253497

Name [?]:

2-methyl-N-(4-phenylthiazol-2-yl)-cyclopropane-1-carboxamide

SMILES [?]:

CC1CC1C(=O)Nc2nc(cs2)c3ccccc3

InChi [?]:

InChI=1/C14H14N2OS/c1-9-7-11(9)13(17)16-14-15-12(8-18-14)10-5-3-2-4-6-10/h2-6,8-9,11H,7H2,1H3,(H,15,16,17)

InChi Info:

AuxInfo=1/1/N:1,16,15,17,14,18,3,11,2,13,4,10,5,8,9,7,6,12/E:(3,4)(5,6)/rA:18cCCCCCONCNCCSCCCCCC/rB:s1;s2;s2s3;s4;d5;s5;s7;d8;s9;d10;s8s11;s10;s13;d14;s15;d16;d13s17;/rC:;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₄H₁₄N₂OS
All Atoms:	32
Heavy Atoms:	18
Chiral Atoms:	2

ZAP Information [?]

Total:	9.01813
Area:	448.014
Solvation:	-2.18222
Coulombic:	-27.5413

Bond Count [?]

All:	20
Single:	14
Double:	6
Rotors:	4
Chiral:	0
Rigid Segments:	4

Chemical Properties

Molecular Weight:	258.34
H-Bond Donors:	1
H-Bond Acceptors:	2
XLogP:	2.83
LogP (Chemaxon):	3.73

Name Annotations

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Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

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Descriptor Annotations

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Chemical Mix	Source	External ID	Descriptor	Value