methyl 2-[(2,3-dichlorobenzoyl)amino]-1,3-thiazole-5-carboxylate

C12H8Cl2N2O3S — CID 18101566

IUPACmethyl 2-[(2,3-dichlorobenzoyl)amino]-1,3-thiazole-5-carboxylate
SMILESCOC(=O)c1cnc(NC(=O)c2cccc(Cl)c2Cl)s1
InChIInChI=1S/C12H8Cl2N2O3S/c1-19-11(18)8-5-15-12(20-8)16-10(17)6-3-2-4-7(13)9(6)14/h2-5H,1H3,(H,15,16,17)
InChIKeyRSEPFBNXUOANFC-UHFFFAOYSA-N
MW331.18 g/mol
LogP3.49
Rot. Bonds3

About methyl 2-[(2,3-dichlorobenzoyl)amino]-1,3-thiazole-5-carboxylate

methyl 2-[(2,3-dichlorobenzoyl)amino]-1,3-thiazole-5-carboxylate (PubChem CID 18101566) has the molecular formula C12H8Cl2N2O3S and a molecular weight of 331.18 g/mol. Its IUPAC name is methyl 2-[(2,3-dichlorobenzoyl)amino]-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Namemethyl 2-[(2,3-dichlorobenzoyl)amino]-1,3-thiazole-5-carboxylate
PubChem CID18101566
Molecular FormulaC12H8Cl2N2O3S
Molecular Weight331.18 g/mol
Exact Mass329.96
IUPAC Namemethyl 2-[(2,3-dichlorobenzoyl)amino]-1,3-thiazole-5-carboxylate
SMILESCOC(=O)c1cnc(NC(=O)c2cccc(Cl)c2Cl)s1
InChIInChI=1S/C12H8Cl2N2O3S/c1-19-11(18)8-5-15-12(20-8)16-10(17)6-3-2-4-7(13)9(6)14/h2-5H,1H3,(H,15,16,17)
InChIKeyRSEPFBNXUOANFC-UHFFFAOYSA-N
XLogP3.49
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.18
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-[[2-(2-chlorophenyl)acetyl]amino]-1,3-thiazole-5-carboxylate
CID 18103649
methyl 2-[(2-chloro-5-methylsulfanylbenzoyl)amino]-1,3-thiazole-5-carboxylate
CID 18103591
methyl 2-[(4-chlorobenzoyl)amino]-1,3-thiazole-5-carboxylate
CID 18103549
methyl 2-[(2-methyl-3-nitrobenzoyl)amino]-1,3-thiazole-5-carboxylate
CID 31769618
methyl 2-[(3-chloro-1-benzothiophene-2-carbonyl)amino]-1,3-thiazole-5-carboxylate
CID 39725242
methyl 2-[(2-methylfuran-3-carbonyl)amino]-1,3-thiazole-5-carboxylate
CID 18103755
methyl 2-[(3-fluorobenzoyl)amino]-1,3-thiazole-5-carboxylate
CID 17415241
methyl 2-[(1-tert-butyl-5-methylpyrazole-4-carbonyl)amino]-1,3-thiazole-5-carboxylate
CID 47046903
methyl 2-[(4-phenoxybenzoyl)amino]-1,3-thiazole-5-carboxylate
CID 39725172
ethyl 2-[(2-hydroxybenzoyl)amino]-1,3-thiazole-5-carboxylate
CID 57394846
methyl 2-[[2-[(3S)-oxolan-3-yl]oxypyridine-3-carbonyl]amino]-1,3-thiazole-5-carboxylate
CID 124875567
methyl 2-[(3,4-difluorobenzoyl)amino]-1,3-thiazole-5-carboxylate
CID 18103744

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(2,3-dichlorobenzoyl)amino]-1,3-thiazole-5-carboxylate?
The IUPAC name of methyl 2-[(2,3-dichlorobenzoyl)amino]-1,3-thiazole-5-carboxylate (CID 18101566) is methyl 2-[(2,3-dichlorobenzoyl)amino]-1,3-thiazole-5-carboxylate.
What is the SMILES notation for methyl 2-[(2,3-dichlorobenzoyl)amino]-1,3-thiazole-5-carboxylate?
The canonical SMILES for methyl 2-[(2,3-dichlorobenzoyl)amino]-1,3-thiazole-5-carboxylate is COC(=O)c1cnc(NC(=O)c2cccc(Cl)c2Cl)s1.
What is the InChIKey of methyl 2-[(2,3-dichlorobenzoyl)amino]-1,3-thiazole-5-carboxylate?
The InChIKey is RSEPFBNXUOANFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8Cl2N2O3S/c1-19-11(18)8-5-15-12(20-8)16-10(17)6-3-2-4-7(13)9(6)14/h2-5H,1H3,(H,15,16,17).
What are the key properties of methyl 2-[(2,3-dichlorobenzoyl)amino]-1,3-thiazole-5-carboxylate?
methyl 2-[(2,3-dichlorobenzoyl)amino]-1,3-thiazole-5-carboxylate has a molecular weight of 331.18 g/mol, XLogP of 3.49, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(2,3-dichlorobenzoyl)amino]-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 18101566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).