(3S)-N-[5-(3-hydroxypropyl)-4-methyl-1,3-thiazol-2-yl]-3-methylpyrrolidine-1-carboxamide

C13H21N3O2S — CID 145485919

IUPAC(3S)-N-[5-(3-hydroxypropyl)-4-methyl-1,3-thiazol-2-yl]-3-methylpyrrolidine-1-carboxamide
SMILESCc1nc(NC(=O)N2CC[C@H](C)C2)sc1CCCO
InChIInChI=1S/C13H21N3O2S/c1-9-5-6-16(8-9)13(18)15-12-14-10(2)11(19-12)4-3-7-17/h9,17H,3-8H2,1-2H3,(H,14,15,18)/t9-/m0/s1
InChIKeyXOOGJSIPQGAYHU-VIFPVBQESA-N
MW283.40 g/mol
LogP2.25
Rot. Bonds4

About (3S)-N-[5-(3-hydroxypropyl)-4-methyl-1,3-thiazol-2-yl]-3-methylpyrrolidine-1-carboxamide

(3S)-N-[5-(3-hydroxypropyl)-4-methyl-1,3-thiazol-2-yl]-3-methylpyrrolidine-1-carboxamide (PubChem CID 145485919) has the molecular formula C13H21N3O2S and a molecular weight of 283.40 g/mol. Its IUPAC name is (3S)-N-[5-(3-hydroxypropyl)-4-methyl-1,3-thiazol-2-yl]-3-methylpyrrolidine-1-carboxamide.

Molecular Properties

Compound Name(3S)-N-[5-(3-hydroxypropyl)-4-methyl-1,3-thiazol-2-yl]-3-methylpyrrolidine-1-carboxamide
PubChem CID145485919
Molecular FormulaC13H21N3O2S
Molecular Weight283.40 g/mol
Exact Mass283.14
IUPAC Name(3S)-N-[5-(3-hydroxypropyl)-4-methyl-1,3-thiazol-2-yl]-3-methylpyrrolidine-1-carboxamide
SMILESCc1nc(NC(=O)N2CC[C@H](C)C2)sc1CCCO
InChIInChI=1S/C13H21N3O2S/c1-9-5-6-16(8-9)13(18)15-12-14-10(2)11(19-12)4-3-7-17/h9,17H,3-8H2,1-2H3,(H,14,15,18)/t9-/m0/s1
InChIKeyXOOGJSIPQGAYHU-VIFPVBQESA-N
XLogP2.25
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.40
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (3S)-N-[5-(3-hydroxypropyl)-4-methyl-1,3-thiazol-2-yl]-3-methylpyrrolidine-1-carboxamide 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

1-[[5-[(2-chlorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]carbamoyl]piperidine-4-carboxylic acid
CID 122094985
4-hydroxy-N-[4-methyl-5-[(3-methylphenyl)methyl]-1,3-thiazol-2-yl]piperidine-1-carboxamide
CID 122150532
1-[[4-methyl-5-[(4-methylphenyl)methyl]-1,3-thiazol-2-yl]carbamoyl]piperidine-3-carboxylic acid
CID 122092678
N-[4-methyl-5-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]cyclopropanecarboxamide
CID 108726673
N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-(4-methylpiperidin-1-yl)-2-oxoacetamide
CID 108504625
N-(5-ethyl-4-propyl-1,3-thiazol-2-yl)-4-(hydroxymethyl)piperidine-1-carboxamide
CID 111475847
4-methyl-2-[[(3-methylpyrrolidine-1-carbonyl)amino]methyl]-1,3-thiazole-5-carboxylic acid
CID 63629705
2,2-dimethyl-N-[4-methyl-5-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]propanamide
CID 108726727
3-methyl-N-(6-methyl-1,3-benzothiazol-2-yl)piperidine-1-carboxamide
CID 115581786
2-methyl-N-[4-methyl-5-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]prop-2-enamide
CID 108726679
(2E,4E)-N-[4-methyl-5-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]hexa-2,4-dienamide
CID 108726683
N-(4,5-dimethyl-1,3-thiazol-2-yl)morpholine-4-carboxamide
CID 47199232

Frequently Asked Questions

What is the IUPAC name of (3S)-N-[5-(3-hydroxypropyl)-4-methyl-1,3-thiazol-2-yl]-3-methylpyrrolidine-1-carboxamide?
The IUPAC name of (3S)-N-[5-(3-hydroxypropyl)-4-methyl-1,3-thiazol-2-yl]-3-methylpyrrolidine-1-carboxamide (CID 145485919) is (3S)-N-[5-(3-hydroxypropyl)-4-methyl-1,3-thiazol-2-yl]-3-methylpyrrolidine-1-carboxamide.
What is the SMILES notation for (3S)-N-[5-(3-hydroxypropyl)-4-methyl-1,3-thiazol-2-yl]-3-methylpyrrolidine-1-carboxamide?
The canonical SMILES for (3S)-N-[5-(3-hydroxypropyl)-4-methyl-1,3-thiazol-2-yl]-3-methylpyrrolidine-1-carboxamide is Cc1nc(NC(=O)N2CC[C@H](C)C2)sc1CCCO.
What is the InChIKey of (3S)-N-[5-(3-hydroxypropyl)-4-methyl-1,3-thiazol-2-yl]-3-methylpyrrolidine-1-carboxamide?
The InChIKey is XOOGJSIPQGAYHU-VIFPVBQESA-N. The full InChI is InChI=1S/C13H21N3O2S/c1-9-5-6-16(8-9)13(18)15-12-14-10(2)11(19-12)4-3-7-17/h9,17H,3-8H2,1-2H3,(H,14,15,18)/t9-/m0/s1.
What are the key properties of (3S)-N-[5-(3-hydroxypropyl)-4-methyl-1,3-thiazol-2-yl]-3-methylpyrrolidine-1-carboxamide?
(3S)-N-[5-(3-hydroxypropyl)-4-methyl-1,3-thiazol-2-yl]-3-methylpyrrolidine-1-carboxamide has a molecular weight of 283.40 g/mol, XLogP of 2.25, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-[5-(3-hydroxypropyl)-4-methyl-1,3-thiazol-2-yl]-3-methylpyrrolidine-1-carboxamide is sourced from PubChem (CID 145485919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).