6-(3-chlorophenyl)-5-methoxy-N-[2-(1,3-thiazol-2-yl)propan-2-yl]pyridine-2-carboxamide

C19H18ClN3O2S — CID 71105585

IUPAC6-(3-chlorophenyl)-5-methoxy-N-[2-(1,3-thiazol-2-yl)propan-2-yl]pyridine-2-carboxamide
SMILESCOc1ccc(C(=O)NC(C)(C)c2nccs2)nc1-c1cccc(Cl)c1
InChIInChI=1S/C19H18ClN3O2S/c1-19(2,18-21-9-10-26-18)23-17(24)14-7-8-15(25-3)16(22-14)12-5-4-6-13(20)11-12/h4-11H,1-3H3,(H,23,24)
InChIKeyULQHKWRWARHEQL-UHFFFAOYSA-N
MW387.89 g/mol
LogP4.53
Rot. Bonds5

About 6-(3-chlorophenyl)-5-methoxy-N-[2-(1,3-thiazol-2-yl)propan-2-yl]pyridine-2-carboxamide

6-(3-chlorophenyl)-5-methoxy-N-[2-(1,3-thiazol-2-yl)propan-2-yl]pyridine-2-carboxamide (PubChem CID 71105585) has the molecular formula C19H18ClN3O2S and a molecular weight of 387.89 g/mol. Its IUPAC name is 6-(3-chlorophenyl)-5-methoxy-N-[2-(1,3-thiazol-2-yl)propan-2-yl]pyridine-2-carboxamide.

Molecular Properties

Compound Name6-(3-chlorophenyl)-5-methoxy-N-[2-(1,3-thiazol-2-yl)propan-2-yl]pyridine-2-carboxamide
PubChem CID71105585
Molecular FormulaC19H18ClN3O2S
Molecular Weight387.89 g/mol
Exact Mass387.08
IUPAC Name6-(3-chlorophenyl)-5-methoxy-N-[2-(1,3-thiazol-2-yl)propan-2-yl]pyridine-2-carboxamide
SMILESCOc1ccc(C(=O)NC(C)(C)c2nccs2)nc1-c1cccc(Cl)c1
InChIInChI=1S/C19H18ClN3O2S/c1-19(2,18-21-9-10-26-18)23-17(24)14-7-8-15(25-3)16(22-14)12-5-4-6-13(20)11-12/h4-11H,1-3H3,(H,23,24)
InChIKeyULQHKWRWARHEQL-UHFFFAOYSA-N
XLogP4.53
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.89
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-(3-Chloro-phenyl)-5-(tetrahydro-furan-2-yl)-pyridine-2-carboxylic acid (1-methyl-1-thiazol-2-yl-ethyl)-amide
CID 71093651
6-(3-Chloro-phenyl)-5-methoxy-pyridine-2-carboxylic acid (1-methyl-1-oxazol-2-yl-ethyl)-amide
CID 71105587
4-(4-Fluorophenyl)-5-(thiazol-5-ylmethoxy)picolinamide
CID 122539741
4-(4-chloro-3-methylphenyl)-N-((2-cyclopropylthiazol-4-yl)methyl)-5-(2,2,2-trifluoroethoxy)picolinamide
CID 56929275
4-(4-Chloro-phenyl)-5-(2,2,2-trifluoro-ethoxy)-pyridine-2-carboxylic acid (2-isopropyl-thiazol-4-ylmethyl)-amide
CID 56929756
2-[4-(2-fluoro-3-methylbut-3-en-2-yl)phenyl]-N-[1-(5-methoxy-2-pyridinyl)ethyl]-1,3-thiazole-4-carboxamide
CID 91074837
3-(4-chlorophenyl)-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]-5-(2,2,2-trifluoroethoxy)pyridine-2-carboxamide
CID 123961618
N-[2-[6-(3-chloro-4-fluorophenyl)-5-methoxy-2-pyridinyl]-2-(1,3-thiazol-2-yl)ethyl]-4-(2-fluoroethoxy)-3-methoxybenzamide
CID 134323355
N-[2-[6-(3-chloro-4-fluorophenyl)-5-methoxy-2-pyridinyl]-2-(1,3-thiazol-2-yl)propyl]-4-(2-fluoroethoxy)-3-methoxybenzamide
CID 134323361
N-[2-[6-(3-chloro-4-fluorophenyl)-5-methoxy-2-pyridinyl]-2-(1,3-thiazol-2-yl)ethyl]-4-(fluoromethoxy)-3-methoxybenzamide
CID 139444288
3-[[4-(2-Chloro-4-pyridinyl)-1,3-thiazol-2-yl]methyl]-4-(trifluoromethoxy)benzamide
CID 158624860
N-[2-amino-5-(1,3-thiazol-5-yl)phenyl]-5-(trifluoromethoxy)pyridine-2-carboxamide
CID 168107124

Frequently Asked Questions

What is the IUPAC name of 6-(3-chlorophenyl)-5-methoxy-N-[2-(1,3-thiazol-2-yl)propan-2-yl]pyridine-2-carboxamide?
The IUPAC name of 6-(3-chlorophenyl)-5-methoxy-N-[2-(1,3-thiazol-2-yl)propan-2-yl]pyridine-2-carboxamide (CID 71105585) is 6-(3-chlorophenyl)-5-methoxy-N-[2-(1,3-thiazol-2-yl)propan-2-yl]pyridine-2-carboxamide.
What is the SMILES notation for 6-(3-chlorophenyl)-5-methoxy-N-[2-(1,3-thiazol-2-yl)propan-2-yl]pyridine-2-carboxamide?
The canonical SMILES for 6-(3-chlorophenyl)-5-methoxy-N-[2-(1,3-thiazol-2-yl)propan-2-yl]pyridine-2-carboxamide is COc1ccc(C(=O)NC(C)(C)c2nccs2)nc1-c1cccc(Cl)c1.
What is the InChIKey of 6-(3-chlorophenyl)-5-methoxy-N-[2-(1,3-thiazol-2-yl)propan-2-yl]pyridine-2-carboxamide?
The InChIKey is ULQHKWRWARHEQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClN3O2S/c1-19(2,18-21-9-10-26-18)23-17(24)14-7-8-15(25-3)16(22-14)12-5-4-6-13(20)11-12/h4-11H,1-3H3,(H,23,24).
What are the key properties of 6-(3-chlorophenyl)-5-methoxy-N-[2-(1,3-thiazol-2-yl)propan-2-yl]pyridine-2-carboxamide?
6-(3-chlorophenyl)-5-methoxy-N-[2-(1,3-thiazol-2-yl)propan-2-yl]pyridine-2-carboxamide has a molecular weight of 387.89 g/mol, XLogP of 4.53, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-chlorophenyl)-5-methoxy-N-[2-(1,3-thiazol-2-yl)propan-2-yl]pyridine-2-carboxamide is sourced from PubChem (CID 71105585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).