N-(11-azatricyclo[6.2.1.02,7]undeca-2(7),3,5-trien-4-yl)-2-(3-chlorophenyl)-1,3-thiazole-4-carboxamide

C20H16ClN3OS — CID 166380786

IUPACN-(11-azatricyclo[6.2.1.02,7]undeca-2(7),3,5-trien-4-yl)-2-(3-chlorophenyl)-1,3-thiazole-4-carboxamide
SMILESO=C(Nc1ccc2c(c1)C1CCC2N1)c1csc(-c2cccc(Cl)c2)n1
InChIInChI=1S/C20H16ClN3OS/c21-12-3-1-2-11(8-12)20-24-18(10-26-20)19(25)22-13-4-5-14-15(9-13)17-7-6-16(14)23-17/h1-5,8-10,16-17,23H,6-7H2,(H,22,25)
InChIKeyNIDGFSCAAAVONQ-UHFFFAOYSA-N
MW381.89 g/mol
LogP5.20
Rot. Bonds3

About N-(11-azatricyclo[6.2.1.02,7]undeca-2(7),3,5-trien-4-yl)-2-(3-chlorophenyl)-1,3-thiazole-4-carboxamide

N-(11-azatricyclo[6.2.1.02,7]undeca-2(7),3,5-trien-4-yl)-2-(3-chlorophenyl)-1,3-thiazole-4-carboxamide (PubChem CID 166380786) has the molecular formula C20H16ClN3OS and a molecular weight of 381.89 g/mol. Its IUPAC name is N-(11-azatricyclo[6.2.1.02,7]undeca-2(7),3,5-trien-4-yl)-2-(3-chlorophenyl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-(11-azatricyclo[6.2.1.02,7]undeca-2(7),3,5-trien-4-yl)-2-(3-chlorophenyl)-1,3-thiazole-4-carboxamide
PubChem CID166380786
Molecular FormulaC20H16ClN3OS
Molecular Weight381.89 g/mol
Exact Mass381.07
IUPAC NameN-(11-azatricyclo[6.2.1.02,7]undeca-2(7),3,5-trien-4-yl)-2-(3-chlorophenyl)-1,3-thiazole-4-carboxamide
SMILESO=C(Nc1ccc2c(c1)C1CCC2N1)c1csc(-c2cccc(Cl)c2)n1
InChIInChI=1S/C20H16ClN3OS/c21-12-3-1-2-11(8-12)20-24-18(10-26-20)19(25)22-13-4-5-14-15(9-13)17-7-6-16(14)23-17/h1-5,8-10,16-17,23H,6-7H2,(H,22,25)
InChIKeyNIDGFSCAAAVONQ-UHFFFAOYSA-N
XLogP5.20
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.89
LogP ≤ 55.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-(11-azatricyclo[6.2.1.02,7]undeca-2(7),3,5-trien-4-yl)-2-(3-chlorophenyl)-1,3-thiazole-4-carboxamide with MolForge

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Related Compounds

N-(4-acetamidophenyl)-2-(3-chlorophenyl)-1,3-thiazole-4-carboxamide
CID 46479944
N-(8-azabicyclo[3.2.1]octan-3-yl)-2-(3-chlorophenyl)-1,3-thiazole-4-carboxamide;dihydrochloride
CID 119457021
2-(3-chlorophenyl)-N-[[3-(pyridine-4-carbonylamino)phenyl]methyl]-1,3-thiazole-4-carboxamide
CID 55978480
2-(3-chlorophenyl)-N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]-1,3-thiazole-4-carboxamide
CID 60557435
N-[3-(cyclopropylcarbamoyl)phenyl]-2-phenyl-1,3-thiazole-4-carboxamide
CID 9361287
2-(3-chlorophenyl)-N-(1-cyanocyclobutyl)-1,3-thiazole-4-carboxamide
CID 47084109
[2-(3-chlorophenyl)-1,3-thiazol-4-yl]-[4-(methylamino)piperidin-1-yl]methanone;dihydrochloride
CID 119561577
2-[3-[(3-chlorophenyl)methoxy]phenyl]-N-(4-methoxyphenyl)-1,3-thiazole-4-carboxamide
CID 46066553
6-[[2-(3-chlorophenyl)-1,3-thiazole-4-carbonyl]amino]hexanoic acid
CID 119220176
[2-(3,4-difluoroanilino)-2-oxoethyl] 2-(3-chlorophenyl)-1,3-thiazole-4-carboxylate
CID 27789146
N-(3-acetylphenyl)-2-phenyl-1,3-thiazole-4-carboxamide
CID 18197950
2-[2-(3-chlorophenyl)-1,3-thiazol-4-yl]-N-(4-phenylphenyl)acetamide
CID 16560777

Frequently Asked Questions

What is the IUPAC name of N-(11-azatricyclo[6.2.1.02,7]undeca-2(7),3,5-trien-4-yl)-2-(3-chlorophenyl)-1,3-thiazole-4-carboxamide?
The IUPAC name of N-(11-azatricyclo[6.2.1.02,7]undeca-2(7),3,5-trien-4-yl)-2-(3-chlorophenyl)-1,3-thiazole-4-carboxamide (CID 166380786) is N-(11-azatricyclo[6.2.1.02,7]undeca-2(7),3,5-trien-4-yl)-2-(3-chlorophenyl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-(11-azatricyclo[6.2.1.02,7]undeca-2(7),3,5-trien-4-yl)-2-(3-chlorophenyl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-(11-azatricyclo[6.2.1.02,7]undeca-2(7),3,5-trien-4-yl)-2-(3-chlorophenyl)-1,3-thiazole-4-carboxamide is O=C(Nc1ccc2c(c1)C1CCC2N1)c1csc(-c2cccc(Cl)c2)n1.
What is the InChIKey of N-(11-azatricyclo[6.2.1.02,7]undeca-2(7),3,5-trien-4-yl)-2-(3-chlorophenyl)-1,3-thiazole-4-carboxamide?
The InChIKey is NIDGFSCAAAVONQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16ClN3OS/c21-12-3-1-2-11(8-12)20-24-18(10-26-20)19(25)22-13-4-5-14-15(9-13)17-7-6-16(14)23-17/h1-5,8-10,16-17,23H,6-7H2,(H,22,25).
What are the key properties of N-(11-azatricyclo[6.2.1.02,7]undeca-2(7),3,5-trien-4-yl)-2-(3-chlorophenyl)-1,3-thiazole-4-carboxamide?
N-(11-azatricyclo[6.2.1.02,7]undeca-2(7),3,5-trien-4-yl)-2-(3-chlorophenyl)-1,3-thiazole-4-carboxamide has a molecular weight of 381.89 g/mol, XLogP of 5.20, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(11-azatricyclo[6.2.1.02,7]undeca-2(7),3,5-trien-4-yl)-2-(3-chlorophenyl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 166380786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).