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

C13H14N2O2S — CID 3068076

IUPAC2-(4-methoxyphenyl)-N,4-dimethyl-1,3-thiazole-5-carboxamide
SMILESCNC(=O)c1sc(-c2ccc(OC)cc2)nc1C
InChIInChI=1S/C13H14N2O2S/c1-8-11(12(16)14-2)18-13(15-8)9-4-6-10(17-3)7-5-9/h4-7H,1-3H3,(H,14,16)
InChIKeyGPLLJBLZFRBIEX-UHFFFAOYSA-N
MW262.33 g/mol
LogP2.49
Rot. Bonds3

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

2-(4-methoxyphenyl)-N,4-dimethyl-1,3-thiazole-5-carboxamide (PubChem CID 3068076) has the molecular formula C13H14N2O2S and a molecular weight of 262.33 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-N,4-dimethyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-N,4-dimethyl-1,3-thiazole-5-carboxamide
PubChem CID3068076
Molecular FormulaC13H14N2O2S
Molecular Weight262.33 g/mol
Exact Mass262.08
IUPAC Name2-(4-methoxyphenyl)-N,4-dimethyl-1,3-thiazole-5-carboxamide
SMILESCNC(=O)c1sc(-c2ccc(OC)cc2)nc1C
InChIInChI=1S/C13H14N2O2S/c1-8-11(12(16)14-2)18-13(15-8)9-4-6-10(17-3)7-5-9/h4-7H,1-3H3,(H,14,16)
InChIKeyGPLLJBLZFRBIEX-UHFFFAOYSA-N
XLogP2.49
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.33
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)-N,4-dimethyl-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-(4-methoxyphenyl)-N,4-dimethyl-1,3-thiazole-5-carboxamide (CID 3068076) is 2-(4-methoxyphenyl)-N,4-dimethyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-(4-methoxyphenyl)-N,4-dimethyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-(4-methoxyphenyl)-N,4-dimethyl-1,3-thiazole-5-carboxamide is CNC(=O)c1sc(-c2ccc(OC)cc2)nc1C.
What is the InChIKey of 2-(4-methoxyphenyl)-N,4-dimethyl-1,3-thiazole-5-carboxamide?
The InChIKey is GPLLJBLZFRBIEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O2S/c1-8-11(12(16)14-2)18-13(15-8)9-4-6-10(17-3)7-5-9/h4-7H,1-3H3,(H,14,16).
What are the key properties of 2-(4-methoxyphenyl)-N,4-dimethyl-1,3-thiazole-5-carboxamide?
2-(4-methoxyphenyl)-N,4-dimethyl-1,3-thiazole-5-carboxamide has a molecular weight of 262.33 g/mol, XLogP of 2.49, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)-N,4-dimethyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 3068076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).