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

C17H14ClN3OS — CID 47070949

IUPACN-[[4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]methyl]pyridine-3-carboxamide
SMILESCc1sc(CNC(=O)c2cccnc2)nc1-c1ccc(Cl)cc1
InChIInChI=1S/C17H14ClN3OS/c1-11-16(12-4-6-14(18)7-5-12)21-15(23-11)10-20-17(22)13-3-2-8-19-9-13/h2-9H,10H2,1H3,(H,20,22)
InChIKeyDZTQRBIRVZBFMY-UHFFFAOYSA-N
MW343.84 g/mol
LogP4.10
Rot. Bonds4

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

N-[[4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]methyl]pyridine-3-carboxamide (PubChem CID 47070949) has the molecular formula C17H14ClN3OS and a molecular weight of 343.84 g/mol. Its IUPAC name is N-[[4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]methyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[[4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]methyl]pyridine-3-carboxamide
PubChem CID47070949
Molecular FormulaC17H14ClN3OS
Molecular Weight343.84 g/mol
Exact Mass343.05
IUPAC NameN-[[4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]methyl]pyridine-3-carboxamide
SMILESCc1sc(CNC(=O)c2cccnc2)nc1-c1ccc(Cl)cc1
InChIInChI=1S/C17H14ClN3OS/c1-11-16(12-4-6-14(18)7-5-12)21-15(23-11)10-20-17(22)13-3-2-8-19-9-13/h2-9H,10H2,1H3,(H,20,22)
InChIKeyDZTQRBIRVZBFMY-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

(E)-N-[[4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]methyl]-3-pyridin-4-ylprop-2-enamide
CID 75405148
N-[[4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]methyl]-4-methoxybutanamide
CID 47070958
N-[[6-(4-chlorophenyl)-2,3-dihydroimidazo[2,1-b][1,3]thiazol-5-yl]methyl]pyridine-3-carboxamide
CID 27554870
N-[2-[(4-chlorobenzoyl)amino]ethyl]pyridine-3-carboxamide
CID 3975684
N-[[4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]methyl]-2-(1,2,4-triazol-1-yl)acetamide
CID 51092065
2-amino-N-[[4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]methyl]-3-methoxypropanamide;hydrochloride
CID 120987230
N-[[4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]methyl]-2-pyridin-4-ylpyrrolidine-1-carboxamide
CID 71886556
2-(4-chlorophenyl)-4-methyl-N-(pyridin-3-ylmethyl)-1,3-thiazole-5-carboxamide
CID 24512542
N-[(2-methyl-6-phenylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)methyl]pyridine-3-carboxamide
CID 53163111
N-[(2-methyl-1,3-thiazol-5-yl)methyl]pyridine-3-carboxamide
CID 86835946
N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyridine-3-carboxamide
CID 47290675
N-[4-[[(4-chlorobenzoyl)amino]methyl]phenyl]pyridine-3-carboxamide
CID 108925476

Frequently Asked Questions

What is the IUPAC name of N-[[4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]methyl]pyridine-3-carboxamide?
The IUPAC name of N-[[4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]methyl]pyridine-3-carboxamide (CID 47070949) is N-[[4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]methyl]pyridine-3-carboxamide.
What is the SMILES notation for N-[[4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]methyl]pyridine-3-carboxamide?
The canonical SMILES for N-[[4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]methyl]pyridine-3-carboxamide is Cc1sc(CNC(=O)c2cccnc2)nc1-c1ccc(Cl)cc1.
What is the InChIKey of N-[[4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]methyl]pyridine-3-carboxamide?
The InChIKey is DZTQRBIRVZBFMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClN3OS/c1-11-16(12-4-6-14(18)7-5-12)21-15(23-11)10-20-17(22)13-3-2-8-19-9-13/h2-9H,10H2,1H3,(H,20,22).
What are the key properties of N-[[4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]methyl]pyridine-3-carboxamide?
N-[[4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]methyl]pyridine-3-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-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]methyl]pyridine-3-carboxamide is sourced from PubChem (CID 47070949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).