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Chemical ID: 7403371

Chemical ID:

7403371

Name [?]:

N-ethyl-4-(6-methoxy-1H-indol-3-yl)-thiazol-2-amine

SMILES [?]:

CCNc1nc(cs1)c2c[nH]c3c2ccc(c3)OC

InChi [?]:

InChI=1/C14H15N3OS/c1-3-15-14-17-13(8-19-14)11-7-16-12-6-9(18-2)4-5-10(11)12/h4-8,16H,3H2,1-2H3,(H,15,17)

InChi Info:

AuxInfo=1/1/N:1,19,2,15,14,17,10,7,16,13,9,12,6,4,3,11,5,18,8/rA:19nCCNCNCCSCCNCCCCCCOC/rB:s1;s2;s3;d4;s5;d6;s4s7;s6;d9;s10;s11;s9s12;d13;s14;d15;d12s16;s16;s18;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₄H₁₅N₃OS
All Atoms:	34
Heavy Atoms:	19
Chiral Atoms:	0

ZAP Information [?]

Total:	8.81341
Area:	467.961
Solvation:	-2.88562
Coulombic:	-36.2575

Bond Count [?]

All:	21
Single:	15
Double:	6
Rotors:	4
Chiral:	0
Rigid Segments:	4

Chemical Properties

Molecular Weight:	273.355
H-Bond Donors:	1
H-Bond Acceptors:	2
XLogP:	2.91
LogP (Chemaxon):	3.46

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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Chemical Mix	Source	External ID	Descriptor	Value