2-(4-hydroxy-1-methylpyrrolidin-2-yl)-N-[2-(methylamino)-2-oxoethyl]-1,3-thiazole-4-carboxamide

C12H18N4O3S — CID 137473016

IUPAC2-(4-hydroxy-1-methylpyrrolidin-2-yl)-N-[2-(methylamino)-2-oxoethyl]-1,3-thiazole-4-carboxamide
SMILESCNC(=O)CNC(=O)c1csc(C2CC(O)CN2C)n1
InChIInChI=1S/C12H18N4O3S/c1-13-10(18)4-14-11(19)8-6-20-12(15-8)9-3-7(17)5-16(9)2/h6-7,9,17H,3-5H2,1-2H3,(H,13,18)(H,14,19)
InChIKeyKUMWPOUWTNBIPQ-UHFFFAOYSA-N
MW298.37 g/mol
LogP-0.64
Rot. Bonds4

About 2-(4-hydroxy-1-methylpyrrolidin-2-yl)-N-[2-(methylamino)-2-oxoethyl]-1,3-thiazole-4-carboxamide

2-(4-hydroxy-1-methylpyrrolidin-2-yl)-N-[2-(methylamino)-2-oxoethyl]-1,3-thiazole-4-carboxamide (PubChem CID 137473016) has the molecular formula C12H18N4O3S and a molecular weight of 298.37 g/mol. Its IUPAC name is 2-(4-hydroxy-1-methylpyrrolidin-2-yl)-N-[2-(methylamino)-2-oxoethyl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-(4-hydroxy-1-methylpyrrolidin-2-yl)-N-[2-(methylamino)-2-oxoethyl]-1,3-thiazole-4-carboxamide
PubChem CID137473016
Molecular FormulaC12H18N4O3S
Molecular Weight298.37 g/mol
Exact Mass298.11
IUPAC Name2-(4-hydroxy-1-methylpyrrolidin-2-yl)-N-[2-(methylamino)-2-oxoethyl]-1,3-thiazole-4-carboxamide
SMILESCNC(=O)CNC(=O)c1csc(C2CC(O)CN2C)n1
InChIInChI=1S/C12H18N4O3S/c1-13-10(18)4-14-11(19)8-6-20-12(15-8)9-3-7(17)5-16(9)2/h6-7,9,17H,3-5H2,1-2H3,(H,13,18)(H,14,19)
InChIKeyKUMWPOUWTNBIPQ-UHFFFAOYSA-N
XLogP-0.64
TPSA94.56 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.37
LogP ≤ 5-0.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 2-(4-hydroxy-1-methylpyrrolidin-2-yl)-N-[2-(methylamino)-2-oxoethyl]-1,3-thiazole-4-carboxamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(4-hydroxy-1-methylpyrrolidin-2-yl)-N-[2-(methylamino)-2-oxoethyl]-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-(4-hydroxy-1-methylpyrrolidin-2-yl)-N-[2-(methylamino)-2-oxoethyl]-1,3-thiazole-4-carboxamide (CID 137473016) is 2-(4-hydroxy-1-methylpyrrolidin-2-yl)-N-[2-(methylamino)-2-oxoethyl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-(4-hydroxy-1-methylpyrrolidin-2-yl)-N-[2-(methylamino)-2-oxoethyl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-(4-hydroxy-1-methylpyrrolidin-2-yl)-N-[2-(methylamino)-2-oxoethyl]-1,3-thiazole-4-carboxamide is CNC(=O)CNC(=O)c1csc(C2CC(O)CN2C)n1.
What is the InChIKey of 2-(4-hydroxy-1-methylpyrrolidin-2-yl)-N-[2-(methylamino)-2-oxoethyl]-1,3-thiazole-4-carboxamide?
The InChIKey is KUMWPOUWTNBIPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O3S/c1-13-10(18)4-14-11(19)8-6-20-12(15-8)9-3-7(17)5-16(9)2/h6-7,9,17H,3-5H2,1-2H3,(H,13,18)(H,14,19).
What are the key properties of 2-(4-hydroxy-1-methylpyrrolidin-2-yl)-N-[2-(methylamino)-2-oxoethyl]-1,3-thiazole-4-carboxamide?
2-(4-hydroxy-1-methylpyrrolidin-2-yl)-N-[2-(methylamino)-2-oxoethyl]-1,3-thiazole-4-carboxamide has a molecular weight of 298.37 g/mol, XLogP of -0.64, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-hydroxy-1-methylpyrrolidin-2-yl)-N-[2-(methylamino)-2-oxoethyl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 137473016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).