N-[5-[(4-chlorophenyl)methyl]-1,3-thiazol-2-yl]-6-methylpyridine-3-carboxamide

C17H14ClN3OS — CID 30291826

IUPACN-[5-[(4-chlorophenyl)methyl]-1,3-thiazol-2-yl]-6-methylpyridine-3-carboxamide
SMILESCc1ccc(C(=O)Nc2ncc(Cc3ccc(Cl)cc3)s2)cn1
InChIInChI=1S/C17H14ClN3OS/c1-11-2-5-13(9-19-11)16(22)21-17-20-10-15(23-17)8-12-3-6-14(18)7-4-12/h2-7,9-10H,8H2,1H3,(H,20,21,22)
InChIKeyWZSWYMWURVNZEH-UHFFFAOYSA-N
MW343.84 g/mol
LogP4.34
Rot. Bonds4

About N-[5-[(4-chlorophenyl)methyl]-1,3-thiazol-2-yl]-6-methylpyridine-3-carboxamide

N-[5-[(4-chlorophenyl)methyl]-1,3-thiazol-2-yl]-6-methylpyridine-3-carboxamide (PubChem CID 30291826) has the molecular formula C17H14ClN3OS and a molecular weight of 343.84 g/mol. Its IUPAC name is N-[5-[(4-chlorophenyl)methyl]-1,3-thiazol-2-yl]-6-methylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-[5-[(4-chlorophenyl)methyl]-1,3-thiazol-2-yl]-6-methylpyridine-3-carboxamide
PubChem CID30291826
Molecular FormulaC17H14ClN3OS
Molecular Weight343.84 g/mol
Exact Mass343.05
IUPAC NameN-[5-[(4-chlorophenyl)methyl]-1,3-thiazol-2-yl]-6-methylpyridine-3-carboxamide
SMILESCc1ccc(C(=O)Nc2ncc(Cc3ccc(Cl)cc3)s2)cn1
InChIInChI=1S/C17H14ClN3OS/c1-11-2-5-13(9-19-11)16(22)21-17-20-10-15(23-17)8-12-3-6-14(18)7-4-12/h2-7,9-10H,8H2,1H3,(H,20,21,22)
InChIKeyWZSWYMWURVNZEH-UHFFFAOYSA-N
XLogP4.34
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 ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]-6-methylpyridine-3-carboxamide
CID 46511635
4-ethyl-N-[5-[(4-ethylphenyl)methyl]-1,3-thiazol-2-yl]benzamide
CID 18876296
N-[5-[(4-chlorophenyl)methyl]-1,3-thiazol-2-yl]-4-phenylmethoxybenzamide
CID 3974923
5-(4-acetylphenyl)-N-[5-[(4-chlorophenyl)methyl]-1,3-thiazol-2-yl]furan-2-carboxamide
CID 18270106
N-[5-[(4-chlorophenyl)methyl]-1,3-thiazol-2-yl]-2-methylsulfanylbenzamide
CID 18209053
4-ethoxy-N-[5-[(4-methylphenyl)methyl]-1,3-thiazol-2-yl]benzamide
CID 4684424
N-[2-[[5-[(4-chlorophenyl)methyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]-3-methylbenzamide
CID 26011622
N-[5-[(4-chlorophenyl)methyl]-1,3-thiazol-2-yl]-3-methylsulfanylpropanamide
CID 24645705
N-[5-[(4-chlorophenyl)methyl]-1,3-thiazol-2-yl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 3474856
N-[5-[(4-chlorophenyl)methyl]-1,3-thiazol-2-yl]-1-ethyl-2,3-dioxo-4H-quinoxaline-6-carboxamide
CID 24575712
4-(4-chlorophenyl)-N-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-4-oxobutanamide
CID 55384945
3-chloro-N-[5-[(4-chlorophenyl)methyl]-1,3-thiazol-2-yl]-1-benzothiophene-2-carboxamide
CID 23791817

Frequently Asked Questions

What is the IUPAC name of N-[5-[(4-chlorophenyl)methyl]-1,3-thiazol-2-yl]-6-methylpyridine-3-carboxamide?
The IUPAC name of N-[5-[(4-chlorophenyl)methyl]-1,3-thiazol-2-yl]-6-methylpyridine-3-carboxamide (CID 30291826) is N-[5-[(4-chlorophenyl)methyl]-1,3-thiazol-2-yl]-6-methylpyridine-3-carboxamide.
What is the SMILES notation for N-[5-[(4-chlorophenyl)methyl]-1,3-thiazol-2-yl]-6-methylpyridine-3-carboxamide?
The canonical SMILES for N-[5-[(4-chlorophenyl)methyl]-1,3-thiazol-2-yl]-6-methylpyridine-3-carboxamide is Cc1ccc(C(=O)Nc2ncc(Cc3ccc(Cl)cc3)s2)cn1.
What is the InChIKey of N-[5-[(4-chlorophenyl)methyl]-1,3-thiazol-2-yl]-6-methylpyridine-3-carboxamide?
The InChIKey is WZSWYMWURVNZEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClN3OS/c1-11-2-5-13(9-19-11)16(22)21-17-20-10-15(23-17)8-12-3-6-14(18)7-4-12/h2-7,9-10H,8H2,1H3,(H,20,21,22).
What are the key properties of N-[5-[(4-chlorophenyl)methyl]-1,3-thiazol-2-yl]-6-methylpyridine-3-carboxamide?
N-[5-[(4-chlorophenyl)methyl]-1,3-thiazol-2-yl]-6-methylpyridine-3-carboxamide has a molecular weight of 343.84 g/mol, XLogP of 4.34, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(4-chlorophenyl)methyl]-1,3-thiazol-2-yl]-6-methylpyridine-3-carboxamide is sourced from PubChem (CID 30291826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).