2-chloro-N-(4-methoxyphenyl)-N,4-dimethyl-1,3-thiazole-5-carboxamide

C13H13ClN2O2S — CID 850475

IUPAC2-chloro-N-(4-methoxyphenyl)-N,4-dimethyl-1,3-thiazole-5-carboxamide
SMILESCOc1ccc(N(C)C(=O)c2sc(Cl)nc2C)cc1
InChIInChI=1S/C13H13ClN2O2S/c1-8-11(19-13(14)15-8)12(17)16(2)9-4-6-10(18-3)7-5-9/h4-7H,1-3H3
InChIKeyYOUCKSPJJTYYOU-UHFFFAOYSA-N
MW296.78 g/mol
LogP3.39
Rot. Bonds3

About 2-chloro-N-(4-methoxyphenyl)-N,4-dimethyl-1,3-thiazole-5-carboxamide

2-chloro-N-(4-methoxyphenyl)-N,4-dimethyl-1,3-thiazole-5-carboxamide (PubChem CID 850475) has the molecular formula C13H13ClN2O2S and a molecular weight of 296.78 g/mol. Its IUPAC name is 2-chloro-N-(4-methoxyphenyl)-N,4-dimethyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-chloro-N-(4-methoxyphenyl)-N,4-dimethyl-1,3-thiazole-5-carboxamide
PubChem CID850475
Molecular FormulaC13H13ClN2O2S
Molecular Weight296.78 g/mol
Exact Mass296.04
IUPAC Name2-chloro-N-(4-methoxyphenyl)-N,4-dimethyl-1,3-thiazole-5-carboxamide
SMILESCOc1ccc(N(C)C(=O)c2sc(Cl)nc2C)cc1
InChIInChI=1S/C13H13ClN2O2S/c1-8-11(19-13(14)15-8)12(17)16(2)9-4-6-10(18-3)7-5-9/h4-7H,1-3H3
InChIKeyYOUCKSPJJTYYOU-UHFFFAOYSA-N
XLogP3.39
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.78
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(4-methoxyphenyl)-N,4-dimethyl-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-chloro-N-(4-methoxyphenyl)-N,4-dimethyl-1,3-thiazole-5-carboxamide (CID 850475) is 2-chloro-N-(4-methoxyphenyl)-N,4-dimethyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-chloro-N-(4-methoxyphenyl)-N,4-dimethyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-chloro-N-(4-methoxyphenyl)-N,4-dimethyl-1,3-thiazole-5-carboxamide is COc1ccc(N(C)C(=O)c2sc(Cl)nc2C)cc1.
What is the InChIKey of 2-chloro-N-(4-methoxyphenyl)-N,4-dimethyl-1,3-thiazole-5-carboxamide?
The InChIKey is YOUCKSPJJTYYOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClN2O2S/c1-8-11(19-13(14)15-8)12(17)16(2)9-4-6-10(18-3)7-5-9/h4-7H,1-3H3.
What are the key properties of 2-chloro-N-(4-methoxyphenyl)-N,4-dimethyl-1,3-thiazole-5-carboxamide?
2-chloro-N-(4-methoxyphenyl)-N,4-dimethyl-1,3-thiazole-5-carboxamide has a molecular weight of 296.78 g/mol, XLogP of 3.39, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(4-methoxyphenyl)-N,4-dimethyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 850475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).