2-methylpropyl 4-(1,3-thiazole-4-carbonylamino)benzoate

C15H16N2O3S — CID 110437401

IUPAC2-methylpropyl 4-(1,3-thiazole-4-carbonylamino)benzoate
SMILESCC(C)COC(=O)c1ccc(NC(=O)c2cscn2)cc1
InChIInChI=1S/C15H16N2O3S/c1-10(2)7-20-15(19)11-3-5-12(6-4-11)17-14(18)13-8-21-9-16-13/h3-6,8-10H,7H2,1-2H3,(H,17,18)
InChIKeyFMKRRDDCXFEFFG-UHFFFAOYSA-N
MW304.37 g/mol
LogP3.21
Rot. Bonds5

About 2-methylpropyl 4-(1,3-thiazole-4-carbonylamino)benzoate

2-methylpropyl 4-(1,3-thiazole-4-carbonylamino)benzoate (PubChem CID 110437401) has the molecular formula C15H16N2O3S and a molecular weight of 304.37 g/mol. Its IUPAC name is 2-methylpropyl 4-(1,3-thiazole-4-carbonylamino)benzoate.

Molecular Properties

Compound Name2-methylpropyl 4-(1,3-thiazole-4-carbonylamino)benzoate
PubChem CID110437401
Molecular FormulaC15H16N2O3S
Molecular Weight304.37 g/mol
Exact Mass304.09
IUPAC Name2-methylpropyl 4-(1,3-thiazole-4-carbonylamino)benzoate
SMILESCC(C)COC(=O)c1ccc(NC(=O)c2cscn2)cc1
InChIInChI=1S/C15H16N2O3S/c1-10(2)7-20-15(19)11-3-5-12(6-4-11)17-14(18)13-8-21-9-16-13/h3-6,8-10H,7H2,1-2H3,(H,17,18)
InChIKeyFMKRRDDCXFEFFG-UHFFFAOYSA-N
XLogP3.21
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.37
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(dimethylcarbamoyl)phenyl]-1,3-thiazole-4-carboxamide
CID 55143046
N-[4-(tert-butylcarbamoyl)phenyl]-1,3-thiazole-4-carboxamide
CID 62046167
2-methylpropyl 4-[(4-methoxybenzoyl)amino]benzoate
CID 732519
N-[4-(2-amino-2-oxoethoxy)phenyl]-1,3-thiazole-4-carboxamide
CID 62045992
N-phenyl-1,3-thiazole-4-carboxamide
CID 62045972
N-[4-[[2-(dimethylamino)acetyl]amino]phenyl]-1,3-thiazole-4-carboxamide
CID 131938859
dimethyl 5-(1,3-thiazole-4-carbonylamino)benzene-1,3-dicarboxylate
CID 84554958
2-methylpropyl 4-[[4-[(4,6-dimethylpyrimidin-2-yl)amino]benzoyl]amino]benzoate
CID 108796609
N-[4-(1-methyl-1,2,4-triazol-3-yl)phenyl]-1,3-thiazole-4-carboxamide
CID 75521087
N-(3-amino-4-methoxyphenyl)-1,3-thiazole-4-carboxamide
CID 63024254
2-methylpropyl 4-[(5-bromo-1-benzofuran-2-carbonyl)amino]benzoate
CID 19225315
2-methylpropyl 4-[[2-(4-fluorophenyl)-4-methyl-1,3-thiazole-5-carbonyl]amino]benzoate
CID 108788246

Frequently Asked Questions

What is the IUPAC name of 2-methylpropyl 4-(1,3-thiazole-4-carbonylamino)benzoate?
The IUPAC name of 2-methylpropyl 4-(1,3-thiazole-4-carbonylamino)benzoate (CID 110437401) is 2-methylpropyl 4-(1,3-thiazole-4-carbonylamino)benzoate.
What is the SMILES notation for 2-methylpropyl 4-(1,3-thiazole-4-carbonylamino)benzoate?
The canonical SMILES for 2-methylpropyl 4-(1,3-thiazole-4-carbonylamino)benzoate is CC(C)COC(=O)c1ccc(NC(=O)c2cscn2)cc1.
What is the InChIKey of 2-methylpropyl 4-(1,3-thiazole-4-carbonylamino)benzoate?
The InChIKey is FMKRRDDCXFEFFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O3S/c1-10(2)7-20-15(19)11-3-5-12(6-4-11)17-14(18)13-8-21-9-16-13/h3-6,8-10H,7H2,1-2H3,(H,17,18).
What are the key properties of 2-methylpropyl 4-(1,3-thiazole-4-carbonylamino)benzoate?
2-methylpropyl 4-(1,3-thiazole-4-carbonylamino)benzoate has a molecular weight of 304.37 g/mol, XLogP of 3.21, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpropyl 4-(1,3-thiazole-4-carbonylamino)benzoate is sourced from PubChem (CID 110437401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).