N-(4-chloro-3-isoquinolin-1-ylphenyl)-5-methyl-1,3-thiazole-2-carboxamide

C20H14ClN3OS — CID 70933691

IUPACN-(4-chloro-3-isoquinolin-1-ylphenyl)-5-methyl-1,3-thiazole-2-carboxamide
SMILESCc1cnc(C(=O)Nc2ccc(Cl)c(-c3nccc4ccccc34)c2)s1
InChIInChI=1S/C20H14ClN3OS/c1-12-11-23-20(26-12)19(25)24-14-6-7-17(21)16(10-14)18-15-5-3-2-4-13(15)8-9-22-18/h2-11H,1H3,(H,24,25)
InChIKeyCFFMMMWRMOWUMS-UHFFFAOYSA-N
MW379.87 g/mol
LogP5.57
Rot. Bonds3

About N-(4-chloro-3-isoquinolin-1-ylphenyl)-5-methyl-1,3-thiazole-2-carboxamide

N-(4-chloro-3-isoquinolin-1-ylphenyl)-5-methyl-1,3-thiazole-2-carboxamide (PubChem CID 70933691) has the molecular formula C20H14ClN3OS and a molecular weight of 379.87 g/mol. Its IUPAC name is N-(4-chloro-3-isoquinolin-1-ylphenyl)-5-methyl-1,3-thiazole-2-carboxamide.

Molecular Properties

Compound NameN-(4-chloro-3-isoquinolin-1-ylphenyl)-5-methyl-1,3-thiazole-2-carboxamide
PubChem CID70933691
Molecular FormulaC20H14ClN3OS
Molecular Weight379.87 g/mol
Exact Mass379.05
IUPAC NameN-(4-chloro-3-isoquinolin-1-ylphenyl)-5-methyl-1,3-thiazole-2-carboxamide
SMILESCc1cnc(C(=O)Nc2ccc(Cl)c(-c3nccc4ccccc34)c2)s1
InChIInChI=1S/C20H14ClN3OS/c1-12-11-23-20(26-12)19(25)24-14-6-7-17(21)16(10-14)18-15-5-3-2-4-13(15)8-9-22-18/h2-11H,1H3,(H,24,25)
InChIKeyCFFMMMWRMOWUMS-UHFFFAOYSA-N
XLogP5.57
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500379.87
LogP ≤ 55.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-chloro-3-isoquinolin-1-ylphenyl)-3-methylthiophene-2-carboxamide
CID 70933654
N-(4-chloro-3-isoquinolin-1-ylphenyl)-5-methyl-1H-pyrazole-3-carboxamide
CID 70933679
N-(4-chloro-3-isoquinolin-1-ylphenyl)-2,6-dimethylpyridine-3-carboxamide
CID 70933882
N-(4-chloro-3-isoquinolin-1-ylphenyl)-2,4,5-trimethoxybenzamide
CID 71263531
N-[3-[(4-chloro-3-isoquinolin-1-ylphenyl)carbamothioylamino]phenyl]acetamide
CID 89113603
N-(4-chloro-3-isoquinolin-1-ylphenyl)-5-methylsulfonylthiophene-2-carboxamide;N-(4-chloro-3-isoquinolin-1-ylphenyl)-3-methylthiophene-2-carboxamide
CID 161433412
2-acetamido-N-(4-chloro-3-isoquinolin-1-ylphenyl)-4-methylsulfonylbenzamide
CID 70933669
1-(4-chloro-3-isoquinolin-1-ylphenyl)-3-(4-nitrosophenyl)thiourea
CID 89411023
2-chloro-N-(4-chloro-3-isoquinolin-1-ylphenyl)-4-morpholin-4-ylbenzamide
CID 70933529
3-chloro-N-(4-chloro-3-isoquinolin-1-ylphenyl)-4-(1,1-dioxothiazinan-2-yl)benzamide
CID 90130370
N-[2-[2-chloro-5-(furan-2-carbonylamino)phenyl]-1H-imidazo[4,5-b]pyridin-6-yl]-5-methyl-1,3-thiazole-2-carboxamide
CID 90412056
N-(4-chloro-3-isoquinolin-1-ylphenyl)-4-(3,3-dioxo-1,3,4-oxathiazinan-4-yl)-2-methylbenzamide
CID 90129976

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-3-isoquinolin-1-ylphenyl)-5-methyl-1,3-thiazole-2-carboxamide?
The IUPAC name of N-(4-chloro-3-isoquinolin-1-ylphenyl)-5-methyl-1,3-thiazole-2-carboxamide (CID 70933691) is N-(4-chloro-3-isoquinolin-1-ylphenyl)-5-methyl-1,3-thiazole-2-carboxamide.
What is the SMILES notation for N-(4-chloro-3-isoquinolin-1-ylphenyl)-5-methyl-1,3-thiazole-2-carboxamide?
The canonical SMILES for N-(4-chloro-3-isoquinolin-1-ylphenyl)-5-methyl-1,3-thiazole-2-carboxamide is Cc1cnc(C(=O)Nc2ccc(Cl)c(-c3nccc4ccccc34)c2)s1.
What is the InChIKey of N-(4-chloro-3-isoquinolin-1-ylphenyl)-5-methyl-1,3-thiazole-2-carboxamide?
The InChIKey is CFFMMMWRMOWUMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14ClN3OS/c1-12-11-23-20(26-12)19(25)24-14-6-7-17(21)16(10-14)18-15-5-3-2-4-13(15)8-9-22-18/h2-11H,1H3,(H,24,25).
What are the key properties of N-(4-chloro-3-isoquinolin-1-ylphenyl)-5-methyl-1,3-thiazole-2-carboxamide?
N-(4-chloro-3-isoquinolin-1-ylphenyl)-5-methyl-1,3-thiazole-2-carboxamide has a molecular weight of 379.87 g/mol, XLogP of 5.57, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-3-isoquinolin-1-ylphenyl)-5-methyl-1,3-thiazole-2-carboxamide is sourced from PubChem (CID 70933691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).