N-[(4-chlorophenyl)methyl]-4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carboxamide

C17H14ClN3OS — CID 9138190

IUPACN-[(4-chlorophenyl)methyl]-4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carboxamide
SMILESCc1nc(-c2ccccn2)sc1C(=O)NCc1ccc(Cl)cc1
InChIInChI=1S/C17H14ClN3OS/c1-11-15(23-17(21-11)14-4-2-3-9-19-14)16(22)20-10-12-5-7-13(18)8-6-12/h2-9H,10H2,1H3,(H,20,22)
InChIKeyWNWJRPNLEHHPDZ-UHFFFAOYSA-N
MW343.84 g/mol
LogP4.10
Rot. Bonds4

About N-[(4-chlorophenyl)methyl]-4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carboxamide

N-[(4-chlorophenyl)methyl]-4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carboxamide (PubChem CID 9138190) has the molecular formula C17H14ClN3OS and a molecular weight of 343.84 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carboxamide
PubChem CID9138190
Molecular FormulaC17H14ClN3OS
Molecular Weight343.84 g/mol
Exact Mass343.05
IUPAC NameN-[(4-chlorophenyl)methyl]-4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carboxamide
SMILESCc1nc(-c2ccccn2)sc1C(=O)NCc1ccc(Cl)cc1
InChIInChI=1S/C17H14ClN3OS/c1-11-15(23-17(21-11)14-4-2-3-9-19-14)16(22)20-10-12-5-7-13(18)8-6-12/h2-9H,10H2,1H3,(H,20,22)
InChIKeyWNWJRPNLEHHPDZ-UHFFFAOYSA-N
XLogP4.10
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.84
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carboxamide
CID 9138512
4-methyl-2-pyridin-2-yl-N-(pyridin-2-ylmethyl)-1,3-thiazole-5-carboxamide
CID 18107589
2-(2-chlorophenyl)-N-[(4-chlorophenyl)methyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 39084095
N-[(1S)-1-(4-chlorophenyl)propyl]-4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carboxamide
CID 41490350
N-[(3-butoxyphenyl)methyl]-4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carboxamide
CID 55787475
N-[(4-chlorophenyl)methyl]-4-methyl-2-(phenoxymethyl)-1,3-thiazole-5-carboxamide
CID 28936066
N-[2-(4-chlorophenyl)ethyl]-2-(4-methyl-2-pyridin-2-yl-1,3-thiazol-5-yl)acetamide
CID 110328955
4-methyl-N-[(2-nitrophenyl)methyl]-2-pyridin-2-yl-1,3-thiazole-5-carboxamide
CID 55798848
2-(4-chlorophenyl)-N-[(3,4-dichlorophenyl)methyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 24948936
4-methyl-N-[[2-[[methyl(propan-2-yl)amino]methyl]phenyl]methyl]-2-pyridin-2-yl-1,3-thiazole-5-carboxamide
CID 55694926
N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carboxamide
CID 134027846
N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carboxamide
CID 8927668

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carboxamide?
The IUPAC name of N-[(4-chlorophenyl)methyl]-4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carboxamide (CID 9138190) is N-[(4-chlorophenyl)methyl]-4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carboxamide is Cc1nc(-c2ccccn2)sc1C(=O)NCc1ccc(Cl)cc1.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carboxamide?
The InChIKey is WNWJRPNLEHHPDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClN3OS/c1-11-15(23-17(21-11)14-4-2-3-9-19-14)16(22)20-10-12-5-7-13(18)8-6-12/h2-9H,10H2,1H3,(H,20,22).
What are the key properties of N-[(4-chlorophenyl)methyl]-4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carboxamide?
N-[(4-chlorophenyl)methyl]-4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carboxamide has a molecular weight of 343.84 g/mol, XLogP of 4.10, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]-4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 9138190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).