N-(2-chloro-4-methylphenyl)-2-(4,6-dimethyl-3-oxo-[1,2]thiazolo[5,4-b]pyridin-2-yl)acetamide

C17H16ClN3O2S — CID 4247466

IUPACN-(2-chloro-4-methylphenyl)-2-(4,6-dimethyl-3-oxo-[1,2]thiazolo[5,4-b]pyridin-2-yl)acetamide
SMILESCc1ccc(NC(=O)Cn2sc3nc(C)cc(C)c3c2=O)c(Cl)c1
InChIInChI=1S/C17H16ClN3O2S/c1-9-4-5-13(12(18)6-9)20-14(22)8-21-17(23)15-10(2)7-11(3)19-16(15)24-21/h4-7H,8H2,1-3H3,(H,20,22)
InChIKeyCGJPFBJCHGHBGR-UHFFFAOYSA-N
MW361.85 g/mol
LogP3.68
Rot. Bonds3

About N-(2-chloro-4-methylphenyl)-2-(4,6-dimethyl-3-oxo-[1,2]thiazolo[5,4-b]pyridin-2-yl)acetamide

N-(2-chloro-4-methylphenyl)-2-(4,6-dimethyl-3-oxo-[1,2]thiazolo[5,4-b]pyridin-2-yl)acetamide (PubChem CID 4247466) has the molecular formula C17H16ClN3O2S and a molecular weight of 361.85 g/mol. Its IUPAC name is N-(2-chloro-4-methylphenyl)-2-(4,6-dimethyl-3-oxo-[1,2]thiazolo[5,4-b]pyridin-2-yl)acetamide.

Molecular Properties

Compound NameN-(2-chloro-4-methylphenyl)-2-(4,6-dimethyl-3-oxo-[1,2]thiazolo[5,4-b]pyridin-2-yl)acetamide
PubChem CID4247466
Molecular FormulaC17H16ClN3O2S
Molecular Weight361.85 g/mol
Exact Mass361.07
IUPAC NameN-(2-chloro-4-methylphenyl)-2-(4,6-dimethyl-3-oxo-[1,2]thiazolo[5,4-b]pyridin-2-yl)acetamide
SMILESCc1ccc(NC(=O)Cn2sc3nc(C)cc(C)c3c2=O)c(Cl)c1
InChIInChI=1S/C17H16ClN3O2S/c1-9-4-5-13(12(18)6-9)20-14(22)8-21-17(23)15-10(2)7-11(3)19-16(15)24-21/h4-7H,8H2,1-3H3,(H,20,22)
InChIKeyCGJPFBJCHGHBGR-UHFFFAOYSA-N
XLogP3.68
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.85
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4-methylphenyl)-2-(4,6-dimethyl-3-oxo-[1,2]thiazolo[5,4-b]pyridin-2-yl)acetamide?
The IUPAC name of N-(2-chloro-4-methylphenyl)-2-(4,6-dimethyl-3-oxo-[1,2]thiazolo[5,4-b]pyridin-2-yl)acetamide (CID 4247466) is N-(2-chloro-4-methylphenyl)-2-(4,6-dimethyl-3-oxo-[1,2]thiazolo[5,4-b]pyridin-2-yl)acetamide.
What is the SMILES notation for N-(2-chloro-4-methylphenyl)-2-(4,6-dimethyl-3-oxo-[1,2]thiazolo[5,4-b]pyridin-2-yl)acetamide?
The canonical SMILES for N-(2-chloro-4-methylphenyl)-2-(4,6-dimethyl-3-oxo-[1,2]thiazolo[5,4-b]pyridin-2-yl)acetamide is Cc1ccc(NC(=O)Cn2sc3nc(C)cc(C)c3c2=O)c(Cl)c1.
What is the InChIKey of N-(2-chloro-4-methylphenyl)-2-(4,6-dimethyl-3-oxo-[1,2]thiazolo[5,4-b]pyridin-2-yl)acetamide?
The InChIKey is CGJPFBJCHGHBGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClN3O2S/c1-9-4-5-13(12(18)6-9)20-14(22)8-21-17(23)15-10(2)7-11(3)19-16(15)24-21/h4-7H,8H2,1-3H3,(H,20,22).
What are the key properties of N-(2-chloro-4-methylphenyl)-2-(4,6-dimethyl-3-oxo-[1,2]thiazolo[5,4-b]pyridin-2-yl)acetamide?
N-(2-chloro-4-methylphenyl)-2-(4,6-dimethyl-3-oxo-[1,2]thiazolo[5,4-b]pyridin-2-yl)acetamide has a molecular weight of 361.85 g/mol, XLogP of 3.68, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-4-methylphenyl)-2-(4,6-dimethyl-3-oxo-[1,2]thiazolo[5,4-b]pyridin-2-yl)acetamide is sourced from PubChem (CID 4247466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).