2-(cyclopropanecarbonylamino)-4-(4-methoxyphenyl)-1,3-thiazole-5-carboxylic acid

C15H14N2O4S — CID 94970422

IUPAC2-(cyclopropanecarbonylamino)-4-(4-methoxyphenyl)-1,3-thiazole-5-carboxylic acid
SMILESCOc1ccc(-c2nc(NC(=O)C3CC3)sc2C(=O)O)cc1
InChIInChI=1S/C15H14N2O4S/c1-21-10-6-4-8(5-7-10)11-12(14(19)20)22-15(16-11)17-13(18)9-2-3-9/h4-7,9H,2-3H2,1H3,(H,19,20)(H,16,17,18)
InChIKeyYEYTZPGTYFJAEM-UHFFFAOYSA-N
MW318.35 g/mol
LogP2.87
Rot. Bonds5

About 2-(cyclopropanecarbonylamino)-4-(4-methoxyphenyl)-1,3-thiazole-5-carboxylic acid

2-(cyclopropanecarbonylamino)-4-(4-methoxyphenyl)-1,3-thiazole-5-carboxylic acid (PubChem CID 94970422) has the molecular formula C15H14N2O4S and a molecular weight of 318.35 g/mol. Its IUPAC name is 2-(cyclopropanecarbonylamino)-4-(4-methoxyphenyl)-1,3-thiazole-5-carboxylic acid.

Molecular Properties

Compound Name2-(cyclopropanecarbonylamino)-4-(4-methoxyphenyl)-1,3-thiazole-5-carboxylic acid
PubChem CID94970422
Molecular FormulaC15H14N2O4S
Molecular Weight318.35 g/mol
Exact Mass318.07
IUPAC Name2-(cyclopropanecarbonylamino)-4-(4-methoxyphenyl)-1,3-thiazole-5-carboxylic acid
SMILESCOc1ccc(-c2nc(NC(=O)C3CC3)sc2C(=O)O)cc1
InChIInChI=1S/C15H14N2O4S/c1-21-10-6-4-8(5-7-10)11-12(14(19)20)22-15(16-11)17-13(18)9-2-3-9/h4-7,9H,2-3H2,1H3,(H,19,20)(H,16,17,18)
InChIKeyYEYTZPGTYFJAEM-UHFFFAOYSA-N
XLogP2.87
TPSA88.52 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.35
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(cyclobutanecarbonylamino)-4-phenyl-1,3-thiazole-5-carboxylic acid
CID 82226544
4-(4-aminophenyl)-2-(cyclobutanecarbonylamino)-1,3-thiazole-5-carboxylic acid
CID 94970522
2-(cyclobutanecarbonylamino)-4-pyridin-4-yl-1,3-thiazole-5-carboxylic acid
CID 82226600
N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-1-prop-2-ynylpiperidine-4-carboxamide
CID 60563304
(1R)-N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]cyclohex-3-ene-1-carboxamide
CID 8780972
N-(4,5-diphenyl-1,3-thiazol-2-yl)-1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxamide
CID 16831846
N-(6-methoxy-1,3-benzothiazol-2-yl)cyclopropanecarboxamide
CID 863482
2-acetamido-4-(3-methoxyphenyl)-1,3-thiazole-5-carboxylic acid
CID 82226564
ethyl 2-(cyclohexanecarbonylamino)-4-phenyl-1,3-thiazole-5-carboxylate
CID 3417747
N-(4-phenyl-5-propan-2-yl-1,3-thiazol-2-yl)cyclopropanecarboxamide
CID 39001874
N-[4-(4-ethoxyphenyl)-5-methyl-1,3-thiazol-2-yl]cyclobutanecarboxamide
CID 2677955
2-ethyl-4-(4-methoxyphenyl)-1,3-thiazole-5-carboxylic acid
CID 82226862

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropanecarbonylamino)-4-(4-methoxyphenyl)-1,3-thiazole-5-carboxylic acid?
The IUPAC name of 2-(cyclopropanecarbonylamino)-4-(4-methoxyphenyl)-1,3-thiazole-5-carboxylic acid (CID 94970422) is 2-(cyclopropanecarbonylamino)-4-(4-methoxyphenyl)-1,3-thiazole-5-carboxylic acid.
What is the SMILES notation for 2-(cyclopropanecarbonylamino)-4-(4-methoxyphenyl)-1,3-thiazole-5-carboxylic acid?
The canonical SMILES for 2-(cyclopropanecarbonylamino)-4-(4-methoxyphenyl)-1,3-thiazole-5-carboxylic acid is COc1ccc(-c2nc(NC(=O)C3CC3)sc2C(=O)O)cc1.
What is the InChIKey of 2-(cyclopropanecarbonylamino)-4-(4-methoxyphenyl)-1,3-thiazole-5-carboxylic acid?
The InChIKey is YEYTZPGTYFJAEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O4S/c1-21-10-6-4-8(5-7-10)11-12(14(19)20)22-15(16-11)17-13(18)9-2-3-9/h4-7,9H,2-3H2,1H3,(H,19,20)(H,16,17,18).
What are the key properties of 2-(cyclopropanecarbonylamino)-4-(4-methoxyphenyl)-1,3-thiazole-5-carboxylic acid?
2-(cyclopropanecarbonylamino)-4-(4-methoxyphenyl)-1,3-thiazole-5-carboxylic acid has a molecular weight of 318.35 g/mol, XLogP of 2.87, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropanecarbonylamino)-4-(4-methoxyphenyl)-1,3-thiazole-5-carboxylic acid is sourced from PubChem (CID 94970422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).