N-(3-chloro-4-methoxyphenyl)-3-(2-pyridin-3-yl-1,3-thiazol-4-yl)propanamide

C18H16ClN3O2S — CID 110329941

IUPACN-(3-chloro-4-methoxyphenyl)-3-(2-pyridin-3-yl-1,3-thiazol-4-yl)propanamide
SMILESCOc1ccc(NC(=O)CCc2csc(-c3cccnc3)n2)cc1Cl
InChIInChI=1S/C18H16ClN3O2S/c1-24-16-6-4-13(9-15(16)19)21-17(23)7-5-14-11-25-18(22-14)12-3-2-8-20-10-12/h2-4,6,8-11H,5,7H2,1H3,(H,21,23)
InChIKeyDAKXRYSWOPMLGZ-UHFFFAOYSA-N
MW373.87 g/mol
LogP4.44
Rot. Bonds6

About N-(3-chloro-4-methoxyphenyl)-3-(2-pyridin-3-yl-1,3-thiazol-4-yl)propanamide

N-(3-chloro-4-methoxyphenyl)-3-(2-pyridin-3-yl-1,3-thiazol-4-yl)propanamide (PubChem CID 110329941) has the molecular formula C18H16ClN3O2S and a molecular weight of 373.87 g/mol. Its IUPAC name is N-(3-chloro-4-methoxyphenyl)-3-(2-pyridin-3-yl-1,3-thiazol-4-yl)propanamide.

Molecular Properties

Compound NameN-(3-chloro-4-methoxyphenyl)-3-(2-pyridin-3-yl-1,3-thiazol-4-yl)propanamide
PubChem CID110329941
Molecular FormulaC18H16ClN3O2S
Molecular Weight373.87 g/mol
Exact Mass373.07
IUPAC NameN-(3-chloro-4-methoxyphenyl)-3-(2-pyridin-3-yl-1,3-thiazol-4-yl)propanamide
SMILESCOc1ccc(NC(=O)CCc2csc(-c3cccnc3)n2)cc1Cl
InChIInChI=1S/C18H16ClN3O2S/c1-24-16-6-4-13(9-15(16)19)21-17(23)7-5-14-11-25-18(22-14)12-3-2-8-20-10-12/h2-4,6,8-11H,5,7H2,1H3,(H,21,23)
InChIKeyDAKXRYSWOPMLGZ-UHFFFAOYSA-N
XLogP4.44
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.87
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-methoxyphenyl)-3-(2-pyridin-3-yl-1,3-thiazol-4-yl)propanamide
CID 110329943
N-(3-chloro-4-methoxyphenyl)-3-(2-pyridin-2-yl-1,3-thiazol-4-yl)propanamide
CID 110329818
N-(2-methoxy-5-methylphenyl)-3-(2-pyridin-3-yl-1,3-thiazol-4-yl)propanamide
CID 110422461
N-(4-ethoxy-3-methoxyphenyl)-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide
CID 78810478
N-[3-chloro-4-[2-(diethylamino)-2-oxoethoxy]phenyl]-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide
CID 55611126
N-[2-(2-methoxyphenyl)ethyl]-3-(2-pyridin-3-yl-1,3-thiazol-4-yl)propanamide
CID 110329884
methyl 2-[3-(2-pyridin-3-yl-1,3-thiazol-4-yl)propanoylamino]benzoate
CID 110424060
N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide
CID 55386814
N-(3,4-dimethylphenyl)-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide
CID 9191701
N-(3-chloro-4-methoxyphenyl)-3-pyridin-2-ylpropanamide
CID 47468190
N-(3,5-dimethoxyphenyl)-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide
CID 9192230
N-(4-chlorophenyl)-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)propanamide
CID 110330056

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methoxyphenyl)-3-(2-pyridin-3-yl-1,3-thiazol-4-yl)propanamide?
The IUPAC name of N-(3-chloro-4-methoxyphenyl)-3-(2-pyridin-3-yl-1,3-thiazol-4-yl)propanamide (CID 110329941) is N-(3-chloro-4-methoxyphenyl)-3-(2-pyridin-3-yl-1,3-thiazol-4-yl)propanamide.
What is the SMILES notation for N-(3-chloro-4-methoxyphenyl)-3-(2-pyridin-3-yl-1,3-thiazol-4-yl)propanamide?
The canonical SMILES for N-(3-chloro-4-methoxyphenyl)-3-(2-pyridin-3-yl-1,3-thiazol-4-yl)propanamide is COc1ccc(NC(=O)CCc2csc(-c3cccnc3)n2)cc1Cl.
What is the InChIKey of N-(3-chloro-4-methoxyphenyl)-3-(2-pyridin-3-yl-1,3-thiazol-4-yl)propanamide?
The InChIKey is DAKXRYSWOPMLGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClN3O2S/c1-24-16-6-4-13(9-15(16)19)21-17(23)7-5-14-11-25-18(22-14)12-3-2-8-20-10-12/h2-4,6,8-11H,5,7H2,1H3,(H,21,23).
What are the key properties of N-(3-chloro-4-methoxyphenyl)-3-(2-pyridin-3-yl-1,3-thiazol-4-yl)propanamide?
N-(3-chloro-4-methoxyphenyl)-3-(2-pyridin-3-yl-1,3-thiazol-4-yl)propanamide has a molecular weight of 373.87 g/mol, XLogP of 4.44, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-methoxyphenyl)-3-(2-pyridin-3-yl-1,3-thiazol-4-yl)propanamide is sourced from PubChem (CID 110329941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).