Chemical ID: 5467990

c1ccc(c(c1)Cc2cnc(s2)NC(=O)C3CC3)Cl
Chemical ID:
5467990
Name [?]:
N-[5-[(2-chlorophenyl)methyl]thiazol-2-yl]cyclopropanecarboxamide
SMILES [?]:
c1ccc(c(c1)Cc2cnc(s2)NC(=O)C3CC3)Cl
InChi [?]:
InChI=1/C14H13ClN2OS/c15-12-4-2-1-3-10(12)7-11-8-16-14(19-11)17-13(18)9-5-6-9/h1-4,8-9H,5-7H2,(H,16,17,18)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,17,18,7,9,16,5,8,4,14,11,19,10,13,15,12/E:(5,6)/rA:19nCCCCCCCCCNCSNCOCCCCl/rB:s1;d2;s3;d4;d1s5;s5;s7;d8;s9;d10;s8s11;s11;s13;d14;s14;s16;s16s17;s4;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H13ClN2OS
All Atoms:19
Heavy Atoms:19
Chiral Atoms:0
ZAP Information [?]
Total:9.0188
Area:476.825
Solvation:-2.90184
Coulombic:-26.3426
Bond Count [?]
All:21
Single:15
Double:6
Rotors:5
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:292.785
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:2.06
LogP (Chemaxon):3.52

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