2-[methyl-[[4-(trifluoromethoxy)phenyl]carbamoyl]amino]-1,3-thiazole-4-carboxylic acid

C13H10F3N3O4S — CID 90292024

IUPAC2-[methyl-[[4-(trifluoromethoxy)phenyl]carbamoyl]amino]-1,3-thiazole-4-carboxylic acid
SMILESCN(C(=O)Nc1ccc(OC(F)(F)F)cc1)c1nc(C(=O)O)cs1
InChIInChI=1S/C13H10F3N3O4S/c1-19(12-18-9(6-24-12)10(20)21)11(22)17-7-2-4-8(5-3-7)23-13(14,15)16/h2-6H,1H3,(H,17,22)(H,20,21)
InChIKeyAJYBRAUWTIFLTL-UHFFFAOYSA-N
MW361.30 g/mol
LogP3.41
Rot. Bonds4

About 2-[methyl-[[4-(trifluoromethoxy)phenyl]carbamoyl]amino]-1,3-thiazole-4-carboxylic acid

2-[methyl-[[4-(trifluoromethoxy)phenyl]carbamoyl]amino]-1,3-thiazole-4-carboxylic acid (PubChem CID 90292024) has the molecular formula C13H10F3N3O4S and a molecular weight of 361.30 g/mol. Its IUPAC name is 2-[methyl-[[4-(trifluoromethoxy)phenyl]carbamoyl]amino]-1,3-thiazole-4-carboxylic acid.

Molecular Properties

Compound Name2-[methyl-[[4-(trifluoromethoxy)phenyl]carbamoyl]amino]-1,3-thiazole-4-carboxylic acid
PubChem CID90292024
Molecular FormulaC13H10F3N3O4S
Molecular Weight361.30 g/mol
Exact Mass361.03
IUPAC Name2-[methyl-[[4-(trifluoromethoxy)phenyl]carbamoyl]amino]-1,3-thiazole-4-carboxylic acid
SMILESCN(C(=O)Nc1ccc(OC(F)(F)F)cc1)c1nc(C(=O)O)cs1
InChIInChI=1S/C13H10F3N3O4S/c1-19(12-18-9(6-24-12)10(20)21)11(22)17-7-2-4-8(5-3-7)23-13(14,15)16/h2-6H,1H3,(H,17,22)(H,20,21)
InChIKeyAJYBRAUWTIFLTL-UHFFFAOYSA-N
XLogP3.41
TPSA91.76 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.30
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-methyl-1-(4-methyl-1,3-thiazol-2-yl)-3-phenylurea
CID 110748214
N-(4-ethoxyphenyl)-2-[4-(trifluoromethoxy)anilino]-1,3-thiazole-4-carboxamide
CID 16955260
2-[2-fluoro-4-(trifluoromethoxy)phenyl]-1,3-thiazole-4-carboxylic acid
CID 169498549
2-(pyrimidin-2-ylamino)-N-[4-(trifluoromethoxy)phenyl]-1,3-thiazole-4-carboxamide
CID 90505988
2-(3-phenylpropanoylamino)-N-[4-(trifluoromethoxy)phenyl]-1,3-thiazole-4-carboxamide
CID 84551102
[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl] 2-(4-methylphenyl)-1,3-thiazole-4-carboxylate
CID 27775959
N-[4-(trifluoromethoxy)phenyl]carbamoyl chloride
CID 22420988
[4-(trifluoromethoxy)phenyl]urea
CID 2779224
2-[4-(trifluoromethyl)phenoxy]-1,3-thiazole-4-carboxylic acid
CID 117189251
2-[[4-[4-(trifluoromethoxy)phenyl]phenyl]carbamoyl]cyclopentene-1-carboxylic acid
CID 21084833
6-amino-N-[4-(trifluoromethoxy)phenyl]pyridine-2-carboxamide
CID 62239251
1-[2-(dimethylamino)-4,6-dimethylpyrimidin-5-yl]-3-[4-(trifluoromethoxy)phenyl]urea
CID 122356200

Frequently Asked Questions

What is the IUPAC name of 2-[methyl-[[4-(trifluoromethoxy)phenyl]carbamoyl]amino]-1,3-thiazole-4-carboxylic acid?
The IUPAC name of 2-[methyl-[[4-(trifluoromethoxy)phenyl]carbamoyl]amino]-1,3-thiazole-4-carboxylic acid (CID 90292024) is 2-[methyl-[[4-(trifluoromethoxy)phenyl]carbamoyl]amino]-1,3-thiazole-4-carboxylic acid.
What is the SMILES notation for 2-[methyl-[[4-(trifluoromethoxy)phenyl]carbamoyl]amino]-1,3-thiazole-4-carboxylic acid?
The canonical SMILES for 2-[methyl-[[4-(trifluoromethoxy)phenyl]carbamoyl]amino]-1,3-thiazole-4-carboxylic acid is CN(C(=O)Nc1ccc(OC(F)(F)F)cc1)c1nc(C(=O)O)cs1.
What is the InChIKey of 2-[methyl-[[4-(trifluoromethoxy)phenyl]carbamoyl]amino]-1,3-thiazole-4-carboxylic acid?
The InChIKey is AJYBRAUWTIFLTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10F3N3O4S/c1-19(12-18-9(6-24-12)10(20)21)11(22)17-7-2-4-8(5-3-7)23-13(14,15)16/h2-6H,1H3,(H,17,22)(H,20,21).
What are the key properties of 2-[methyl-[[4-(trifluoromethoxy)phenyl]carbamoyl]amino]-1,3-thiazole-4-carboxylic acid?
2-[methyl-[[4-(trifluoromethoxy)phenyl]carbamoyl]amino]-1,3-thiazole-4-carboxylic acid has a molecular weight of 361.30 g/mol, XLogP of 3.41, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-[[4-(trifluoromethoxy)phenyl]carbamoyl]amino]-1,3-thiazole-4-carboxylic acid is sourced from PubChem (CID 90292024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).