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

C13H11ClN2O3S — CID 18103649

IUPACmethyl 2-[[2-(2-chlorophenyl)acetyl]amino]-1,3-thiazole-5-carboxylate
SMILESCOC(=O)c1cnc(NC(=O)Cc2ccccc2Cl)s1
InChIInChI=1S/C13H11ClN2O3S/c1-19-12(18)10-7-15-13(20-10)16-11(17)6-8-4-2-3-5-9(8)14/h2-5,7H,6H2,1H3,(H,15,16,17)
InChIKeyYFMJNWQIPYSBQJ-UHFFFAOYSA-N
MW310.76 g/mol
LogP2.76
Rot. Bonds4

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

methyl 2-[[2-(2-chlorophenyl)acetyl]amino]-1,3-thiazole-5-carboxylate (PubChem CID 18103649) has the molecular formula C13H11ClN2O3S and a molecular weight of 310.76 g/mol. Its IUPAC name is methyl 2-[[2-(2-chlorophenyl)acetyl]amino]-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Namemethyl 2-[[2-(2-chlorophenyl)acetyl]amino]-1,3-thiazole-5-carboxylate
PubChem CID18103649
Molecular FormulaC13H11ClN2O3S
Molecular Weight310.76 g/mol
Exact Mass310.02
IUPAC Namemethyl 2-[[2-(2-chlorophenyl)acetyl]amino]-1,3-thiazole-5-carboxylate
SMILESCOC(=O)c1cnc(NC(=O)Cc2ccccc2Cl)s1
InChIInChI=1S/C13H11ClN2O3S/c1-19-12(18)10-7-15-13(20-10)16-11(17)6-8-4-2-3-5-9(8)14/h2-5,7H,6H2,1H3,(H,15,16,17)
InChIKeyYFMJNWQIPYSBQJ-UHFFFAOYSA-N
XLogP2.76
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.76
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-[[2-(4-methylphenyl)acetyl]amino]-1,3-thiazole-5-carboxylate
CID 18103773
methyl 2-[(2,3-dichlorobenzoyl)amino]-1,3-thiazole-5-carboxylate
CID 18101566
methyl 2-[[2-(4-pyrrol-1-ylphenyl)acetyl]amino]-1,3-thiazole-5-carboxylate
CID 31911755
methyl 2-(isoindole-2-carbonylamino)-1,3-thiazole-5-carboxylate
CID 87562643
methyl 2-[(4-chlorobenzoyl)amino]-1,3-thiazole-5-carboxylate
CID 18103549
methyl 2-[[2-(4-chlorophenyl)sulfanylacetyl]amino]-1,3-thiazole-5-carboxylate
CID 18103641
methyl 2-[(3-chloro-1-benzothiophene-2-carbonyl)amino]-1,3-thiazole-5-carboxylate
CID 39725242
methyl 4-[2-[[2-(2-chlorophenyl)acetyl]amino]-1,3-thiazol-4-yl]benzoate
CID 121023796
2-(2-chlorophenyl)-N-(5-propyl-1,3,4-thiadiazol-2-yl)acetamide
CID 34107644
methyl 2-[2-(methoxymethyl)anilino]-1,3-thiazole-5-carboxylate
CID 80570947
methyl 2-[[2-(3-ethyl-2-oxobenzimidazol-1-yl)acetyl]amino]-1,3-thiazole-5-carboxylate
CID 18121923
methyl 2-[(4-phenoxybenzoyl)amino]-1,3-thiazole-5-carboxylate
CID 39725172

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[2-(2-chlorophenyl)acetyl]amino]-1,3-thiazole-5-carboxylate?
The IUPAC name of methyl 2-[[2-(2-chlorophenyl)acetyl]amino]-1,3-thiazole-5-carboxylate (CID 18103649) is methyl 2-[[2-(2-chlorophenyl)acetyl]amino]-1,3-thiazole-5-carboxylate.
What is the SMILES notation for methyl 2-[[2-(2-chlorophenyl)acetyl]amino]-1,3-thiazole-5-carboxylate?
The canonical SMILES for methyl 2-[[2-(2-chlorophenyl)acetyl]amino]-1,3-thiazole-5-carboxylate is COC(=O)c1cnc(NC(=O)Cc2ccccc2Cl)s1.
What is the InChIKey of methyl 2-[[2-(2-chlorophenyl)acetyl]amino]-1,3-thiazole-5-carboxylate?
The InChIKey is YFMJNWQIPYSBQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClN2O3S/c1-19-12(18)10-7-15-13(20-10)16-11(17)6-8-4-2-3-5-9(8)14/h2-5,7H,6H2,1H3,(H,15,16,17).
What are the key properties of methyl 2-[[2-(2-chlorophenyl)acetyl]amino]-1,3-thiazole-5-carboxylate?
methyl 2-[[2-(2-chlorophenyl)acetyl]amino]-1,3-thiazole-5-carboxylate has a molecular weight of 310.76 g/mol, XLogP of 2.76, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[2-(2-chlorophenyl)acetyl]amino]-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 18103649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).