2-(4-methoxyphenyl)-N-propan-2-yl-1,3-thiazole-4-carboxamide

C14H16N2O2S — CID 17392431

IUPAC2-(4-methoxyphenyl)-N-propan-2-yl-1,3-thiazole-4-carboxamide
SMILESCOc1ccc(-c2nc(C(=O)NC(C)C)cs2)cc1
InChIInChI=1S/C14H16N2O2S/c1-9(2)15-13(17)12-8-19-14(16-12)10-4-6-11(18-3)7-5-10/h4-9H,1-3H3,(H,15,17)
InChIKeyRIBQQJJBUCHASD-UHFFFAOYSA-N
MW276.36 g/mol
LogP2.96
Rot. Bonds4

About 2-(4-methoxyphenyl)-N-propan-2-yl-1,3-thiazole-4-carboxamide

2-(4-methoxyphenyl)-N-propan-2-yl-1,3-thiazole-4-carboxamide (PubChem CID 17392431) has the molecular formula C14H16N2O2S and a molecular weight of 276.36 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-N-propan-2-yl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-N-propan-2-yl-1,3-thiazole-4-carboxamide
PubChem CID17392431
Molecular FormulaC14H16N2O2S
Molecular Weight276.36 g/mol
Exact Mass276.09
IUPAC Name2-(4-methoxyphenyl)-N-propan-2-yl-1,3-thiazole-4-carboxamide
SMILESCOc1ccc(-c2nc(C(=O)NC(C)C)cs2)cc1
InChIInChI=1S/C14H16N2O2S/c1-9(2)15-13(17)12-8-19-14(16-12)10-4-6-11(18-3)7-5-10/h4-9H,1-3H3,(H,15,17)
InChIKeyRIBQQJJBUCHASD-UHFFFAOYSA-N
XLogP2.96
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.36
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-fluorophenyl)-N-propan-2-yl-1,3-thiazole-4-carboxamide
CID 18097614
2-(4-methoxyphenyl)-N-(2-methyl-1-phenylpropyl)-1,3-thiazole-4-carboxamide
CID 18230190
N-ethyl-2-(4-methoxyphenyl)-1,3-thiazole-4-carboxamide
CID 42656610
N-[1-(3,4-difluorophenyl)ethyl]-2-(4-methoxyphenyl)-1,3-thiazole-4-carboxamide
CID 45355568
2-(4-methoxyphenyl)-N-(1-pyridin-3-ylethyl)-1,3-thiazole-4-carboxamide
CID 51256063
N-[(2S)-1-amino-1-oxopropan-2-yl]-2-(4-propan-2-yloxyphenyl)-1,3-thiazole-4-carboxamide
CID 94798658
2-(4-methoxyphenyl)-1,3-thiazole-4-carboxylate
CID 6933840
N-(3-aminobutyl)-2-(4-methoxyphenyl)-1,3-thiazole-4-carboxamide;dihydrochloride
CID 119495584
N-(3-amino-2-methylpropyl)-2-(4-methoxyphenyl)-1,3-thiazole-4-carboxamide;dihydrochloride
CID 119998203
N-[(2R)-2-(ethylamino)propyl]-2-(4-methoxyphenyl)-1,3-thiazole-4-carboxamide
CID 120650279
2-(4-ethoxyphenyl)-N-(1-hydroxypropan-2-yl)-1,3-thiazole-4-carboxamide
CID 78861167
2-(4-methoxyphenyl)-N-[1-(3-sulfamoylphenyl)ethyl]-1,3-thiazole-4-carboxamide
CID 55407765

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)-N-propan-2-yl-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-(4-methoxyphenyl)-N-propan-2-yl-1,3-thiazole-4-carboxamide (CID 17392431) is 2-(4-methoxyphenyl)-N-propan-2-yl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-(4-methoxyphenyl)-N-propan-2-yl-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-(4-methoxyphenyl)-N-propan-2-yl-1,3-thiazole-4-carboxamide is COc1ccc(-c2nc(C(=O)NC(C)C)cs2)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)-N-propan-2-yl-1,3-thiazole-4-carboxamide?
The InChIKey is RIBQQJJBUCHASD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2S/c1-9(2)15-13(17)12-8-19-14(16-12)10-4-6-11(18-3)7-5-10/h4-9H,1-3H3,(H,15,17).
What are the key properties of 2-(4-methoxyphenyl)-N-propan-2-yl-1,3-thiazole-4-carboxamide?
2-(4-methoxyphenyl)-N-propan-2-yl-1,3-thiazole-4-carboxamide has a molecular weight of 276.36 g/mol, XLogP of 2.96, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)-N-propan-2-yl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 17392431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).