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

C14H16N2O3S — CID 3068070

IUPAC2-(3,4-dimethoxyphenyl)-N,4-dimethyl-1,3-thiazole-5-carboxamide
SMILESCNC(=O)c1sc(-c2ccc(OC)c(OC)c2)nc1C
InChIInChI=1S/C14H16N2O3S/c1-8-12(13(17)15-2)20-14(16-8)9-5-6-10(18-3)11(7-9)19-4/h5-7H,1-4H3,(H,15,17)
InChIKeyQNIHAJJHPNMVJY-UHFFFAOYSA-N
MW292.36 g/mol
LogP2.50
Rot. Bonds4

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

2-(3,4-dimethoxyphenyl)-N,4-dimethyl-1,3-thiazole-5-carboxamide (PubChem CID 3068070) has the molecular formula C14H16N2O3S and a molecular weight of 292.36 g/mol. Its IUPAC name is 2-(3,4-dimethoxyphenyl)-N,4-dimethyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-(3,4-dimethoxyphenyl)-N,4-dimethyl-1,3-thiazole-5-carboxamide
PubChem CID3068070
Molecular FormulaC14H16N2O3S
Molecular Weight292.36 g/mol
Exact Mass292.09
IUPAC Name2-(3,4-dimethoxyphenyl)-N,4-dimethyl-1,3-thiazole-5-carboxamide
SMILESCNC(=O)c1sc(-c2ccc(OC)c(OC)c2)nc1C
InChIInChI=1S/C14H16N2O3S/c1-8-12(13(17)15-2)20-14(16-8)9-5-6-10(18-3)11(7-9)19-4/h5-7H,1-4H3,(H,15,17)
InChIKeyQNIHAJJHPNMVJY-UHFFFAOYSA-N
XLogP2.50
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.36
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethoxyphenyl)-N,4-dimethyl-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-(3,4-dimethoxyphenyl)-N,4-dimethyl-1,3-thiazole-5-carboxamide (CID 3068070) is 2-(3,4-dimethoxyphenyl)-N,4-dimethyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-(3,4-dimethoxyphenyl)-N,4-dimethyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-(3,4-dimethoxyphenyl)-N,4-dimethyl-1,3-thiazole-5-carboxamide is CNC(=O)c1sc(-c2ccc(OC)c(OC)c2)nc1C.
What is the InChIKey of 2-(3,4-dimethoxyphenyl)-N,4-dimethyl-1,3-thiazole-5-carboxamide?
The InChIKey is QNIHAJJHPNMVJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O3S/c1-8-12(13(17)15-2)20-14(16-8)9-5-6-10(18-3)11(7-9)19-4/h5-7H,1-4H3,(H,15,17).
What are the key properties of 2-(3,4-dimethoxyphenyl)-N,4-dimethyl-1,3-thiazole-5-carboxamide?
2-(3,4-dimethoxyphenyl)-N,4-dimethyl-1,3-thiazole-5-carboxamide has a molecular weight of 292.36 g/mol, XLogP of 2.50, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethoxyphenyl)-N,4-dimethyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 3068070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).