2-methyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1,3-thiazole-4-carboxamide

C12H17N3O2S — CID 72894736

IUPAC2-methyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1,3-thiazole-4-carboxamide
SMILESCc1nc(C(=O)NCCCN2CCCC2=O)cs1
InChIInChI=1S/C12H17N3O2S/c1-9-14-10(8-18-9)12(17)13-5-3-7-15-6-2-4-11(15)16/h8H,2-7H2,1H3,(H,13,17)
InChIKeyDLIWWGBDOGBSED-UHFFFAOYSA-N
MW267.35 g/mol
LogP1.19
Rot. Bonds5

About 2-methyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1,3-thiazole-4-carboxamide

2-methyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1,3-thiazole-4-carboxamide (PubChem CID 72894736) has the molecular formula C12H17N3O2S and a molecular weight of 267.35 g/mol. Its IUPAC name is 2-methyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-methyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1,3-thiazole-4-carboxamide
PubChem CID72894736
Molecular FormulaC12H17N3O2S
Molecular Weight267.35 g/mol
Exact Mass267.10
IUPAC Name2-methyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1,3-thiazole-4-carboxamide
SMILESCc1nc(C(=O)NCCCN2CCCC2=O)cs1
InChIInChI=1S/C12H17N3O2S/c1-9-14-10(8-18-9)12(17)13-5-3-7-15-6-2-4-11(15)16/h8H,2-7H2,1H3,(H,13,17)
InChIKeyDLIWWGBDOGBSED-UHFFFAOYSA-N
XLogP1.19
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.35
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[(2-fluorobenzoyl)amino]-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1,3-thiazole-4-carboxamide
CID 46114255
N-[3-(2-oxopyrrolidin-1-yl)propyl]-1,3-thiazole-4-carboxamide
CID 63048000
5-methyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]thiophene-3-carboxamide
CID 2225281
2-methyl-N-[2-[4-(2-methylphenyl)piperazin-1-yl]-5-[3-(2-oxopyrrolidin-1-yl)propylcarbamoyl]phenyl]-1,3-thiazole-4-carboxamide
CID 71233957
N-[3-(2-oxoazepan-1-yl)propyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide
CID 46537541
2-[(4-chlorophenoxy)methyl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1,3-thiazole-4-carboxamide
CID 30892188
N-[3-(2-oxopyrrolidin-1-yl)propyl]-2-(pyrimidin-4-ylamino)-1,3-thiazole-4-carboxamide
CID 117085100
2-(4-morpholin-4-ylanilino)-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1,3-thiazole-4-carboxamide
CID 117080609
3-methyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1,2,4-thiadiazole-5-carboxamide
CID 71807161
6-chloro-N-[3-(2-oxopyrrolidin-1-yl)propyl]pyridine-2-carboxamide
CID 62233313
1,3-dimethyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]pyrazole-4-carboxamide;hydrochloride
CID 45284452
N-[3-(2-oxopyrrolidin-1-yl)propyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
CID 176776996

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-methyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1,3-thiazole-4-carboxamide (CID 72894736) is 2-methyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-methyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-methyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1,3-thiazole-4-carboxamide is Cc1nc(C(=O)NCCCN2CCCC2=O)cs1.
What is the InChIKey of 2-methyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1,3-thiazole-4-carboxamide?
The InChIKey is DLIWWGBDOGBSED-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O2S/c1-9-14-10(8-18-9)12(17)13-5-3-7-15-6-2-4-11(15)16/h8H,2-7H2,1H3,(H,13,17).
What are the key properties of 2-methyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1,3-thiazole-4-carboxamide?
2-methyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1,3-thiazole-4-carboxamide has a molecular weight of 267.35 g/mol, XLogP of 1.19, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 72894736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).