5-chloro-2-methoxy-N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]benzamide

C17H14ClN3O2S — CID 108770761

IUPAC5-chloro-2-methoxy-N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]benzamide
SMILESCOc1ccc(Cl)cc1C(=O)NCc1csc(-c2ccccn2)n1
InChIInChI=1S/C17H14ClN3O2S/c1-23-15-6-5-11(18)8-13(15)16(22)20-9-12-10-24-17(21-12)14-4-2-3-7-19-14/h2-8,10H,9H2,1H3,(H,20,22)
InChIKeyYIRFXEGBDZKYPA-UHFFFAOYSA-N
MW359.84 g/mol
LogP3.80
Rot. Bonds5

About 5-chloro-2-methoxy-N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]benzamide

5-chloro-2-methoxy-N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]benzamide (PubChem CID 108770761) has the molecular formula C17H14ClN3O2S and a molecular weight of 359.84 g/mol. Its IUPAC name is 5-chloro-2-methoxy-N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]benzamide.

Molecular Properties

Compound Name5-chloro-2-methoxy-N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]benzamide
PubChem CID108770761
Molecular FormulaC17H14ClN3O2S
Molecular Weight359.84 g/mol
Exact Mass359.05
IUPAC Name5-chloro-2-methoxy-N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]benzamide
SMILESCOc1ccc(Cl)cc1C(=O)NCc1csc(-c2ccccn2)n1
InChIInChI=1S/C17H14ClN3O2S/c1-23-15-6-5-11(18)8-13(15)16(22)20-9-12-10-24-17(21-12)14-4-2-3-7-19-14/h2-8,10H,9H2,1H3,(H,20,22)
InChIKeyYIRFXEGBDZKYPA-UHFFFAOYSA-N
XLogP3.80
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.84
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(5-chloro-2-methoxyphenyl)-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide
CID 26720081
N-[(5-chloro-2-methoxyphenyl)methyl]-N-methyl-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide
CID 33163824
N-[(2-methoxyphenyl)methyl]-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide
CID 17435695
N-[2-(2-methoxy-5-methylphenyl)ethyl]-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide
CID 16564283
3-fluoro-N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]benzamide
CID 108748855
5-chloro-N-[[2-(dimethylamino)pyrimidin-4-yl]methyl]-2-methoxybenzamide
CID 91967691
N-[(4-chlorophenyl)methyl]-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide
CID 17434882
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide
CID 32735530
methyl 3-methoxy-4-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methoxy]benzoate
CID 30786002
N-(3-chloro-4-methoxyphenyl)-3-(2-pyridin-2-yl-1,3-thiazol-4-yl)propanamide
CID 110329818
(E)-3-(2,4-dimethoxyphenyl)-N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]prop-2-enamide
CID 108770775
5-chloro-2-methoxy-N-(thiophen-2-ylmethyl)benzamide
CID 887260

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-methoxy-N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]benzamide?
The IUPAC name of 5-chloro-2-methoxy-N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]benzamide (CID 108770761) is 5-chloro-2-methoxy-N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]benzamide.
What is the SMILES notation for 5-chloro-2-methoxy-N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]benzamide?
The canonical SMILES for 5-chloro-2-methoxy-N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]benzamide is COc1ccc(Cl)cc1C(=O)NCc1csc(-c2ccccn2)n1.
What is the InChIKey of 5-chloro-2-methoxy-N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]benzamide?
The InChIKey is YIRFXEGBDZKYPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClN3O2S/c1-23-15-6-5-11(18)8-13(15)16(22)20-9-12-10-24-17(21-12)14-4-2-3-7-19-14/h2-8,10H,9H2,1H3,(H,20,22).
What are the key properties of 5-chloro-2-methoxy-N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]benzamide?
5-chloro-2-methoxy-N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]benzamide has a molecular weight of 359.84 g/mol, XLogP of 3.80, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-methoxy-N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]benzamide is sourced from PubChem (CID 108770761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).