methyl 2-[[4-chloro-3-(2-oxopyrrolidin-1-yl)benzoyl]amino]-1,3-thiazole-5-carboxylate

C16H14ClN3O4S — CID 18103779

IUPACmethyl 2-[[4-chloro-3-(2-oxopyrrolidin-1-yl)benzoyl]amino]-1,3-thiazole-5-carboxylate
SMILESCOC(=O)c1cnc(NC(=O)c2ccc(Cl)c(N3CCCC3=O)c2)s1
InChIInChI=1S/C16H14ClN3O4S/c1-24-15(23)12-8-18-16(25-12)19-14(22)9-4-5-10(17)11(7-9)20-6-2-3-13(20)21/h4-5,7-8H,2-3,6H2,1H3,(H,18,19,22)
InChIKeyISYRHAGDCCMMDU-UHFFFAOYSA-N
MW379.83 g/mol
LogP2.96
Rot. Bonds4

About methyl 2-[[4-chloro-3-(2-oxopyrrolidin-1-yl)benzoyl]amino]-1,3-thiazole-5-carboxylate

methyl 2-[[4-chloro-3-(2-oxopyrrolidin-1-yl)benzoyl]amino]-1,3-thiazole-5-carboxylate (PubChem CID 18103779) has the molecular formula C16H14ClN3O4S and a molecular weight of 379.83 g/mol. Its IUPAC name is methyl 2-[[4-chloro-3-(2-oxopyrrolidin-1-yl)benzoyl]amino]-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Namemethyl 2-[[4-chloro-3-(2-oxopyrrolidin-1-yl)benzoyl]amino]-1,3-thiazole-5-carboxylate
PubChem CID18103779
Molecular FormulaC16H14ClN3O4S
Molecular Weight379.83 g/mol
Exact Mass379.04
IUPAC Namemethyl 2-[[4-chloro-3-(2-oxopyrrolidin-1-yl)benzoyl]amino]-1,3-thiazole-5-carboxylate
SMILESCOC(=O)c1cnc(NC(=O)c2ccc(Cl)c(N3CCCC3=O)c2)s1
InChIInChI=1S/C16H14ClN3O4S/c1-24-15(23)12-8-18-16(25-12)19-14(22)9-4-5-10(17)11(7-9)20-6-2-3-13(20)21/h4-5,7-8H,2-3,6H2,1H3,(H,18,19,22)
InChIKeyISYRHAGDCCMMDU-UHFFFAOYSA-N
XLogP2.96
TPSA88.60 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.83
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze methyl 2-[[4-chloro-3-(2-oxopyrrolidin-1-yl)benzoyl]amino]-1,3-thiazole-5-carboxylate with MolForge

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Related Compounds

methyl 2-[[4-(2-oxopiperidin-1-yl)benzoyl]amino]-1,3-thiazole-5-carboxylate
CID 18103802
4-chloro-N-(5-methyl-1,3,4-thiadiazol-2-yl)-3-(2-oxopyrrolidin-1-yl)benzamide
CID 16564145
methyl 2-[[4-chloro-3-(2-oxopyrrolidin-1-yl)benzoyl]amino]benzoate
CID 18200069
4-chloro-N-(6-chloro-1,3-benzothiazol-2-yl)-3-(2-oxopyrrolidin-1-yl)benzamide
CID 9046620
4-chloro-N-(4-methoxyphenyl)-3-(2-oxopyrrolidin-1-yl)benzamide
CID 9042234
4-chloro-N-(4-methylphenyl)-3-(2-oxopyrrolidin-1-yl)benzamide
CID 9042083
methyl 2-[(4-chlorobenzoyl)amino]-1,3-thiazole-5-carboxylate
CID 18103549
4-chloro-N-(5-chloro-2-methoxyphenyl)-3-(2-oxopyrrolidin-1-yl)benzamide
CID 9068775
4-chloro-N-[4-(4-methoxyanilino)phenyl]-3-(2-oxopyrrolidin-1-yl)benzamide
CID 18292701
N-(5-benzyl-1,3,4-thiadiazol-2-yl)-4-chloro-3-(2-oxopyrrolidin-1-yl)benzamide
CID 18200259
methyl 2-[(3,4-difluorobenzoyl)amino]-1,3-thiazole-5-carboxylate
CID 18103744
3,4-dichloro-N-[4-methoxy-3-(2-oxopyrrolidin-1-yl)phenyl]benzamide
CID 7687099

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[4-chloro-3-(2-oxopyrrolidin-1-yl)benzoyl]amino]-1,3-thiazole-5-carboxylate?
The IUPAC name of methyl 2-[[4-chloro-3-(2-oxopyrrolidin-1-yl)benzoyl]amino]-1,3-thiazole-5-carboxylate (CID 18103779) is methyl 2-[[4-chloro-3-(2-oxopyrrolidin-1-yl)benzoyl]amino]-1,3-thiazole-5-carboxylate.
What is the SMILES notation for methyl 2-[[4-chloro-3-(2-oxopyrrolidin-1-yl)benzoyl]amino]-1,3-thiazole-5-carboxylate?
The canonical SMILES for methyl 2-[[4-chloro-3-(2-oxopyrrolidin-1-yl)benzoyl]amino]-1,3-thiazole-5-carboxylate is COC(=O)c1cnc(NC(=O)c2ccc(Cl)c(N3CCCC3=O)c2)s1.
What is the InChIKey of methyl 2-[[4-chloro-3-(2-oxopyrrolidin-1-yl)benzoyl]amino]-1,3-thiazole-5-carboxylate?
The InChIKey is ISYRHAGDCCMMDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClN3O4S/c1-24-15(23)12-8-18-16(25-12)19-14(22)9-4-5-10(17)11(7-9)20-6-2-3-13(20)21/h4-5,7-8H,2-3,6H2,1H3,(H,18,19,22).
What are the key properties of methyl 2-[[4-chloro-3-(2-oxopyrrolidin-1-yl)benzoyl]amino]-1,3-thiazole-5-carboxylate?
methyl 2-[[4-chloro-3-(2-oxopyrrolidin-1-yl)benzoyl]amino]-1,3-thiazole-5-carboxylate has a molecular weight of 379.83 g/mol, XLogP of 2.96, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[4-chloro-3-(2-oxopyrrolidin-1-yl)benzoyl]amino]-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 18103779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).