methyl 2-[(2-amino-1,3-thiazole-4-carbonyl)amino]-4-chlorobenzoate

C12H10ClN3O3S — CID 62787676

IUPACmethyl 2-[(2-amino-1,3-thiazole-4-carbonyl)amino]-4-chlorobenzoate
SMILESCOC(=O)c1ccc(Cl)cc1NC(=O)c1csc(N)n1
InChIInChI=1S/C12H10ClN3O3S/c1-19-11(18)7-3-2-6(13)4-8(7)15-10(17)9-5-20-12(14)16-9/h2-5H,1H3,(H2,14,16)(H,15,17)
InChIKeyBSMAZFIVKJVMGP-UHFFFAOYSA-N
MW311.75 g/mol
LogP2.42
Rot. Bonds3

About methyl 2-[(2-amino-1,3-thiazole-4-carbonyl)amino]-4-chlorobenzoate

methyl 2-[(2-amino-1,3-thiazole-4-carbonyl)amino]-4-chlorobenzoate (PubChem CID 62787676) has the molecular formula C12H10ClN3O3S and a molecular weight of 311.75 g/mol. Its IUPAC name is methyl 2-[(2-amino-1,3-thiazole-4-carbonyl)amino]-4-chlorobenzoate.

Molecular Properties

Compound Namemethyl 2-[(2-amino-1,3-thiazole-4-carbonyl)amino]-4-chlorobenzoate
PubChem CID62787676
Molecular FormulaC12H10ClN3O3S
Molecular Weight311.75 g/mol
Exact Mass311.01
IUPAC Namemethyl 2-[(2-amino-1,3-thiazole-4-carbonyl)amino]-4-chlorobenzoate
SMILESCOC(=O)c1ccc(Cl)cc1NC(=O)c1csc(N)n1
InChIInChI=1S/C12H10ClN3O3S/c1-19-11(18)7-3-2-6(13)4-8(7)15-10(17)9-5-20-12(14)16-9/h2-5H,1H3,(H2,14,16)(H,15,17)
InChIKeyBSMAZFIVKJVMGP-UHFFFAOYSA-N
XLogP2.42
TPSA94.31 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.75
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-amino-N-(5-chloro-2-methylphenyl)-1,3-thiazole-4-carboxamide
CID 55116247
methyl 3-[(2-amino-1,3-thiazole-4-carbonyl)amino]-4-fluorobenzoate
CID 62786661
2-amino-N-(4-chloro-2-fluorophenyl)-1,3-thiazole-4-carboxamide
CID 62788574
methyl 2-acetamido-4-chlorobenzoate
CID 2800203
2-amino-N-(2,5-dichloro-4-methylphenyl)-1,3-thiazole-4-carboxamide
CID 113445874
methyl 2-[(3-amino-2,2,3-trimethylbutanoyl)amino]-4-chlorobenzoate
CID 65264248
3-[(2-amino-1,3-thiazole-4-carbonyl)amino]-4-methoxybenzoic acid
CID 63744459
methyl 2-(2-aminobutanoylamino)-4-chlorobenzoate
CID 43701983
2-amino-N-(3-chloro-4-fluorophenyl)-1,3-thiazole-4-carboxamide
CID 62788368
methyl 4-chloro-2-(furan-2-carbonylamino)benzoate
CID 60630180
methyl 4-chloro-2-[[4-(trifluoromethyl)benzoyl]amino]benzoate
CID 2440555
2-amino-N-(4-fluoro-3-methylphenyl)-1,3-thiazole-4-carboxamide
CID 55119460

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(2-amino-1,3-thiazole-4-carbonyl)amino]-4-chlorobenzoate?
The IUPAC name of methyl 2-[(2-amino-1,3-thiazole-4-carbonyl)amino]-4-chlorobenzoate (CID 62787676) is methyl 2-[(2-amino-1,3-thiazole-4-carbonyl)amino]-4-chlorobenzoate.
What is the SMILES notation for methyl 2-[(2-amino-1,3-thiazole-4-carbonyl)amino]-4-chlorobenzoate?
The canonical SMILES for methyl 2-[(2-amino-1,3-thiazole-4-carbonyl)amino]-4-chlorobenzoate is COC(=O)c1ccc(Cl)cc1NC(=O)c1csc(N)n1.
What is the InChIKey of methyl 2-[(2-amino-1,3-thiazole-4-carbonyl)amino]-4-chlorobenzoate?
The InChIKey is BSMAZFIVKJVMGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClN3O3S/c1-19-11(18)7-3-2-6(13)4-8(7)15-10(17)9-5-20-12(14)16-9/h2-5H,1H3,(H2,14,16)(H,15,17).
What are the key properties of methyl 2-[(2-amino-1,3-thiazole-4-carbonyl)amino]-4-chlorobenzoate?
methyl 2-[(2-amino-1,3-thiazole-4-carbonyl)amino]-4-chlorobenzoate has a molecular weight of 311.75 g/mol, XLogP of 2.42, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(2-amino-1,3-thiazole-4-carbonyl)amino]-4-chlorobenzoate is sourced from PubChem (CID 62787676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).