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

C17H17N3O4S — CID 18103802

IUPACmethyl 2-[[4-(2-oxopiperidin-1-yl)benzoyl]amino]-1,3-thiazole-5-carboxylate
SMILESCOC(=O)c1cnc(NC(=O)c2ccc(N3CCCCC3=O)cc2)s1
InChIInChI=1S/C17H17N3O4S/c1-24-16(23)13-10-18-17(25-13)19-15(22)11-5-7-12(8-6-11)20-9-3-2-4-14(20)21/h5-8,10H,2-4,9H2,1H3,(H,18,19,22)
InChIKeyZBHRCOBXRTXVLL-UHFFFAOYSA-N
MW359.41 g/mol
LogP2.70
Rot. Bonds4

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

methyl 2-[[4-(2-oxopiperidin-1-yl)benzoyl]amino]-1,3-thiazole-5-carboxylate (PubChem CID 18103802) has the molecular formula C17H17N3O4S and a molecular weight of 359.41 g/mol. Its IUPAC name is methyl 2-[[4-(2-oxopiperidin-1-yl)benzoyl]amino]-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Namemethyl 2-[[4-(2-oxopiperidin-1-yl)benzoyl]amino]-1,3-thiazole-5-carboxylate
PubChem CID18103802
Molecular FormulaC17H17N3O4S
Molecular Weight359.41 g/mol
Exact Mass359.09
IUPAC Namemethyl 2-[[4-(2-oxopiperidin-1-yl)benzoyl]amino]-1,3-thiazole-5-carboxylate
SMILESCOC(=O)c1cnc(NC(=O)c2ccc(N3CCCCC3=O)cc2)s1
InChIInChI=1S/C17H17N3O4S/c1-24-16(23)13-10-18-17(25-13)19-15(22)11-5-7-12(8-6-11)20-9-3-2-4-14(20)21/h5-8,10H,2-4,9H2,1H3,(H,18,19,22)
InChIKeyZBHRCOBXRTXVLL-UHFFFAOYSA-N
XLogP2.70
TPSA88.60 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.41
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 2-[[4-chloro-3-(2-oxopyrrolidin-1-yl)benzoyl]amino]-1,3-thiazole-5-carboxylate
CID 18103779
methyl 4-[[4-(2-oxopyrrolidin-1-yl)phenyl]carbamoyl]benzoate
CID 8747295
N-methoxy-4-(2-oxopiperidin-1-yl)benzamide
CID 51279408
methyl 2-[(4-phenoxybenzoyl)amino]-1,3-thiazole-5-carboxylate
CID 39725172
N-(4-acetylphenyl)-4-(2-oxopiperidin-1-yl)benzamide
CID 9242933
N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]-4-(2-oxopiperidin-1-yl)benzamide
CID 18140044
N-(4,5-dihydro-1,3-thiazol-2-yl)-4-(2-oxopiperidin-1-yl)benzamide
CID 51240513
N-(4-tert-butyl-1,3-thiazol-2-yl)-4-(2-oxopyrrolidin-1-yl)benzamide
CID 26243376
N-(4-methoxyphenyl)-4-(2-oxopyrrolidin-1-yl)benzamide
CID 9412020
N-[4,5-bis(4-methylphenyl)-1,3-thiazol-2-yl]-4-(2-oxopyrrolidin-1-yl)benzamide
CID 2109025
N-(6-ethylsulfanyl-3-pyridinyl)-4-(2-oxopiperidin-1-yl)benzamide
CID 71882932
N-(4-chlorophenyl)-4-(2-oxopiperidin-1-yl)benzamide
CID 36678322

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[4-(2-oxopiperidin-1-yl)benzoyl]amino]-1,3-thiazole-5-carboxylate?
The IUPAC name of methyl 2-[[4-(2-oxopiperidin-1-yl)benzoyl]amino]-1,3-thiazole-5-carboxylate (CID 18103802) is methyl 2-[[4-(2-oxopiperidin-1-yl)benzoyl]amino]-1,3-thiazole-5-carboxylate.
What is the SMILES notation for methyl 2-[[4-(2-oxopiperidin-1-yl)benzoyl]amino]-1,3-thiazole-5-carboxylate?
The canonical SMILES for methyl 2-[[4-(2-oxopiperidin-1-yl)benzoyl]amino]-1,3-thiazole-5-carboxylate is COC(=O)c1cnc(NC(=O)c2ccc(N3CCCCC3=O)cc2)s1.
What is the InChIKey of methyl 2-[[4-(2-oxopiperidin-1-yl)benzoyl]amino]-1,3-thiazole-5-carboxylate?
The InChIKey is ZBHRCOBXRTXVLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O4S/c1-24-16(23)13-10-18-17(25-13)19-15(22)11-5-7-12(8-6-11)20-9-3-2-4-14(20)21/h5-8,10H,2-4,9H2,1H3,(H,18,19,22).
What are the key properties of methyl 2-[[4-(2-oxopiperidin-1-yl)benzoyl]amino]-1,3-thiazole-5-carboxylate?
methyl 2-[[4-(2-oxopiperidin-1-yl)benzoyl]amino]-1,3-thiazole-5-carboxylate has a molecular weight of 359.41 g/mol, XLogP of 2.70, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[4-(2-oxopiperidin-1-yl)benzoyl]amino]-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 18103802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).