5-Thiazolecarboxamide, N,4-dimethyl-2-(2-methoxyphenyl)-

C13H14N2O2S — CID 3068073

IUPAC2-(2-methoxyphenyl)-N,4-dimethyl-1,3-thiazole-5-carboxamide
SMILESCC1=C(SC(=N1)C2=CC=CC=C2OC)C(=O)NC
InChIInChI=1S/C13H14N2O2S/c1-8-11(12(16)14-2)18-13(15-8)9-6-4-5-7-10(9)17-3/h4-7H,1-3H3,(H,14,16)
InChIKeyRWQUXMQQPCENOI-UHFFFAOYSA-N
MW262.33 g/mol
LogP2.60
Rot. Bonds3

About 5-Thiazolecarboxamide, N,4-dimethyl-2-(2-methoxyphenyl)-

5-Thiazolecarboxamide, N,4-dimethyl-2-(2-methoxyphenyl)- (PubChem CID 3068073) has the molecular formula C13H14N2O2S and a molecular weight of 262.33 g/mol. Its IUPAC name is 2-(2-methoxyphenyl)-N,4-dimethyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name5-Thiazolecarboxamide, N,4-dimethyl-2-(2-methoxyphenyl)-
PubChem CID3068073
Molecular FormulaC13H14N2O2S
Molecular Weight262.33 g/mol
Exact Mass262.08
IUPAC Name2-(2-methoxyphenyl)-N,4-dimethyl-1,3-thiazole-5-carboxamide
SMILESCC1=C(SC(=N1)C2=CC=CC=C2OC)C(=O)NC
InChIInChI=1S/C13H14N2O2S/c1-8-11(12(16)14-2)18-13(15-8)9-6-4-5-7-10(9)17-3/h4-7H,1-3H3,(H,14,16)
InChIKeyRWQUXMQQPCENOI-UHFFFAOYSA-N
XLogP2.60
TPSA79.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity301

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.33
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-[(2-Methoxyphenyl)methylamino]-4-methyl-1,3-thiazol-5-yl]ethanone
CID 2443329
(E)-3-(4-methoxyphenyl)-1-(4-methyl-2-phenyl-1,3-thiazol-5-yl)-2-propen-1-one
CID 5707201
(E)-3-(4-methoxyanilino)-1-(4-methyl-2-phenyl-1,3-thiazol-5-yl)-2-propen-1-one
CID 5825353
N-[(E)-(2-methoxyphenyl)methylideneamino]-2,4-dimethyl-1,3-thiazole-5-carboxamide
CID 6899401
(5Z)-5-[[2-(2-methoxyphenyl)-1,3-thiazol-4-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 137649962
2-[(2-methoxyphenyl)methylamino]-N,4-dimethyl-1,3-thiazole-5-carboxamide
CID 2438786
2-[(2-methoxyphenyl)methylamino]-N,N,4-trimethyl-1,3-thiazole-5-carboxamide
CID 2444065
2-methoxy-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]benzamide
CID 35541451
5-Thiazolecarboxamide, N,4-dimethyl-2-(3,4,5-trimethoxyphenyl)-
CID 3068067
5-Thiazolecarboxamide, 4-methyl-2-(3,4-dimethoxyphenyl)-
CID 3068069
5-Thiazolecarboxamide, 2-(3,4-dimethoxyphenyl)-N,4-dimethyl-
CID 3068070
5-Thiazolecarboxamide, 2-(3,4-dimethoxyphenyl)-4-methyl-N-propyl-
CID 3068071

Frequently Asked Questions

What is the IUPAC name of 5-Thiazolecarboxamide, N,4-dimethyl-2-(2-methoxyphenyl)-?
The IUPAC name of 5-Thiazolecarboxamide, N,4-dimethyl-2-(2-methoxyphenyl)- (CID 3068073) is 2-(2-methoxyphenyl)-N,4-dimethyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 5-Thiazolecarboxamide, N,4-dimethyl-2-(2-methoxyphenyl)-?
The canonical SMILES for 5-Thiazolecarboxamide, N,4-dimethyl-2-(2-methoxyphenyl)- is CC1=C(SC(=N1)C2=CC=CC=C2OC)C(=O)NC.
What is the InChIKey of 5-Thiazolecarboxamide, N,4-dimethyl-2-(2-methoxyphenyl)-?
The InChIKey is RWQUXMQQPCENOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O2S/c1-8-11(12(16)14-2)18-13(15-8)9-6-4-5-7-10(9)17-3/h4-7H,1-3H3,(H,14,16).
What are the key properties of 5-Thiazolecarboxamide, N,4-dimethyl-2-(2-methoxyphenyl)-?
5-Thiazolecarboxamide, N,4-dimethyl-2-(2-methoxyphenyl)- has a molecular weight of 262.33 g/mol, XLogP of 2.60, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-Thiazolecarboxamide, N,4-dimethyl-2-(2-methoxyphenyl)- is sourced from PubChem (CID 3068073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).