methyl 2-[(4-chlorobenzoyl)amino]-1,3-thiazole-5-carboxylate

C12H9ClN2O3S — CID 18103549

IUPACmethyl 2-[(4-chlorobenzoyl)amino]-1,3-thiazole-5-carboxylate
SMILESCOC(=O)c1cnc(NC(=O)c2ccc(Cl)cc2)s1
InChIInChI=1S/C12H9ClN2O3S/c1-18-11(17)9-6-14-12(19-9)15-10(16)7-2-4-8(13)5-3-7/h2-6H,1H3,(H,14,15,16)
InChIKeyFHCUIQSGJDKAGS-UHFFFAOYSA-N
MW296.74 g/mol
LogP2.84
Rot. Bonds3

About methyl 2-[(4-chlorobenzoyl)amino]-1,3-thiazole-5-carboxylate

methyl 2-[(4-chlorobenzoyl)amino]-1,3-thiazole-5-carboxylate (PubChem CID 18103549) has the molecular formula C12H9ClN2O3S and a molecular weight of 296.74 g/mol. Its IUPAC name is methyl 2-[(4-chlorobenzoyl)amino]-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Namemethyl 2-[(4-chlorobenzoyl)amino]-1,3-thiazole-5-carboxylate
PubChem CID18103549
Molecular FormulaC12H9ClN2O3S
Molecular Weight296.74 g/mol
Exact Mass296.00
IUPAC Namemethyl 2-[(4-chlorobenzoyl)amino]-1,3-thiazole-5-carboxylate
SMILESCOC(=O)c1cnc(NC(=O)c2ccc(Cl)cc2)s1
InChIInChI=1S/C12H9ClN2O3S/c1-18-11(17)9-6-14-12(19-9)15-10(16)7-2-4-8(13)5-3-7/h2-6H,1H3,(H,14,15,16)
InChIKeyFHCUIQSGJDKAGS-UHFFFAOYSA-N
XLogP2.84
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.74
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-[(3,4-difluorobenzoyl)amino]-1,3-thiazole-5-carboxylate
CID 18103744
methyl 2-[(4-phenoxybenzoyl)amino]-1,3-thiazole-5-carboxylate
CID 39725172
methyl 2-[[4-(1,3-dithian-2-yl)benzoyl]amino]-1,3-thiazole-5-carboxylate
CID 18103750
methyl 2-[[2-(4-chlorophenyl)sulfanylacetyl]amino]-1,3-thiazole-5-carboxylate
CID 18103641
methyl 2-[(3-fluorobenzoyl)amino]-1,3-thiazole-5-carboxylate
CID 17415241
methyl 2-[(2,3-dichlorobenzoyl)amino]-1,3-thiazole-5-carboxylate
CID 18101566
4-chloro-N-(5-formyl-1,3-thiazol-2-yl)benzamide
CID 71423986
methyl 2-[[4-(2-oxopiperidin-1-yl)benzoyl]amino]-1,3-thiazole-5-carboxylate
CID 18103802
methyl 2-[[4-chloro-3-(2-oxopyrrolidin-1-yl)benzoyl]amino]-1,3-thiazole-5-carboxylate
CID 18103779
methyl 2-[[2-(2-chlorophenyl)acetyl]amino]-1,3-thiazole-5-carboxylate
CID 18103649
methyl 2-[(3-chloro-1-benzothiophene-2-carbonyl)amino]-1,3-thiazole-5-carboxylate
CID 39725242
methyl 2-[(2-chloro-5-methylsulfanylbenzoyl)amino]-1,3-thiazole-5-carboxylate
CID 18103591

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(4-chlorobenzoyl)amino]-1,3-thiazole-5-carboxylate?
The IUPAC name of methyl 2-[(4-chlorobenzoyl)amino]-1,3-thiazole-5-carboxylate (CID 18103549) is methyl 2-[(4-chlorobenzoyl)amino]-1,3-thiazole-5-carboxylate.
What is the SMILES notation for methyl 2-[(4-chlorobenzoyl)amino]-1,3-thiazole-5-carboxylate?
The canonical SMILES for methyl 2-[(4-chlorobenzoyl)amino]-1,3-thiazole-5-carboxylate is COC(=O)c1cnc(NC(=O)c2ccc(Cl)cc2)s1.
What is the InChIKey of methyl 2-[(4-chlorobenzoyl)amino]-1,3-thiazole-5-carboxylate?
The InChIKey is FHCUIQSGJDKAGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9ClN2O3S/c1-18-11(17)9-6-14-12(19-9)15-10(16)7-2-4-8(13)5-3-7/h2-6H,1H3,(H,14,15,16).
What are the key properties of methyl 2-[(4-chlorobenzoyl)amino]-1,3-thiazole-5-carboxylate?
methyl 2-[(4-chlorobenzoyl)amino]-1,3-thiazole-5-carboxylate has a molecular weight of 296.74 g/mol, XLogP of 2.84, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(4-chlorobenzoyl)amino]-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 18103549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).