N-(1-benzyl-4-methylpyrrolidin-3-yl)-3-methyl-1,2-thiazole-4-carboxamide

C17H21N3OS — CID 86793280

IUPACN-(1-benzyl-4-methylpyrrolidin-3-yl)-3-methyl-1,2-thiazole-4-carboxamide
SMILESCc1nscc1C(=O)NC1CN(Cc2ccccc2)CC1C
InChIInChI=1S/C17H21N3OS/c1-12-8-20(9-14-6-4-3-5-7-14)10-16(12)18-17(21)15-11-22-19-13(15)2/h3-7,11-12,16H,8-10H2,1-2H3,(H,18,21)
InChIKeyVNBVUSLZNJXJSS-UHFFFAOYSA-N
MW315.44 g/mol
LogP2.70
Rot. Bonds4

About N-(1-benzyl-4-methylpyrrolidin-3-yl)-3-methyl-1,2-thiazole-4-carboxamide

N-(1-benzyl-4-methylpyrrolidin-3-yl)-3-methyl-1,2-thiazole-4-carboxamide (PubChem CID 86793280) has the molecular formula C17H21N3OS and a molecular weight of 315.44 g/mol. Its IUPAC name is N-(1-benzyl-4-methylpyrrolidin-3-yl)-3-methyl-1,2-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-(1-benzyl-4-methylpyrrolidin-3-yl)-3-methyl-1,2-thiazole-4-carboxamide
PubChem CID86793280
Molecular FormulaC17H21N3OS
Molecular Weight315.44 g/mol
Exact Mass315.14
IUPAC NameN-(1-benzyl-4-methylpyrrolidin-3-yl)-3-methyl-1,2-thiazole-4-carboxamide
SMILESCc1nscc1C(=O)NC1CN(Cc2ccccc2)CC1C
InChIInChI=1S/C17H21N3OS/c1-12-8-20(9-14-6-4-3-5-7-14)10-16(12)18-17(21)15-11-22-19-13(15)2/h3-7,11-12,16H,8-10H2,1-2H3,(H,18,21)
InChIKeyVNBVUSLZNJXJSS-UHFFFAOYSA-N
XLogP2.70
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.44
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(1-benzyl-4-methylpyrrolidin-3-yl)-3-methyl-1,2-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 N-(1-benzyl-4-methylpyrrolidin-3-yl)-3-methyl-1,2-thiazole-4-carboxamide?
The IUPAC name of N-(1-benzyl-4-methylpyrrolidin-3-yl)-3-methyl-1,2-thiazole-4-carboxamide (CID 86793280) is N-(1-benzyl-4-methylpyrrolidin-3-yl)-3-methyl-1,2-thiazole-4-carboxamide.
What is the SMILES notation for N-(1-benzyl-4-methylpyrrolidin-3-yl)-3-methyl-1,2-thiazole-4-carboxamide?
The canonical SMILES for N-(1-benzyl-4-methylpyrrolidin-3-yl)-3-methyl-1,2-thiazole-4-carboxamide is Cc1nscc1C(=O)NC1CN(Cc2ccccc2)CC1C.
What is the InChIKey of N-(1-benzyl-4-methylpyrrolidin-3-yl)-3-methyl-1,2-thiazole-4-carboxamide?
The InChIKey is VNBVUSLZNJXJSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3OS/c1-12-8-20(9-14-6-4-3-5-7-14)10-16(12)18-17(21)15-11-22-19-13(15)2/h3-7,11-12,16H,8-10H2,1-2H3,(H,18,21).
What are the key properties of N-(1-benzyl-4-methylpyrrolidin-3-yl)-3-methyl-1,2-thiazole-4-carboxamide?
N-(1-benzyl-4-methylpyrrolidin-3-yl)-3-methyl-1,2-thiazole-4-carboxamide has a molecular weight of 315.44 g/mol, XLogP of 2.70, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzyl-4-methylpyrrolidin-3-yl)-3-methyl-1,2-thiazole-4-carboxamide is sourced from PubChem (CID 86793280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).