N,4-dimethyl-N-[(1-phenylpyrrolidin-3-yl)methyl]-1,3-thiazole-5-carboxamide

C17H21N3OS — CID 70739845

IUPACN,4-dimethyl-N-[(1-phenylpyrrolidin-3-yl)methyl]-1,3-thiazole-5-carboxamide
SMILESCc1ncsc1C(=O)N(C)CC1CCN(c2ccccc2)C1
InChIInChI=1S/C17H21N3OS/c1-13-16(22-12-18-13)17(21)19(2)10-14-8-9-20(11-14)15-6-4-3-5-7-15/h3-7,12,14H,8-11H2,1-2H3
InChIKeyHIDSEWVNHHKVFI-UHFFFAOYSA-N
MW315.44 g/mol
LogP3.05
Rot. Bonds4

About N,4-dimethyl-N-[(1-phenylpyrrolidin-3-yl)methyl]-1,3-thiazole-5-carboxamide

N,4-dimethyl-N-[(1-phenylpyrrolidin-3-yl)methyl]-1,3-thiazole-5-carboxamide (PubChem CID 70739845) has the molecular formula C17H21N3OS and a molecular weight of 315.44 g/mol. Its IUPAC name is N,4-dimethyl-N-[(1-phenylpyrrolidin-3-yl)methyl]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN,4-dimethyl-N-[(1-phenylpyrrolidin-3-yl)methyl]-1,3-thiazole-5-carboxamide
PubChem CID70739845
Molecular FormulaC17H21N3OS
Molecular Weight315.44 g/mol
Exact Mass315.14
IUPAC NameN,4-dimethyl-N-[(1-phenylpyrrolidin-3-yl)methyl]-1,3-thiazole-5-carboxamide
SMILESCc1ncsc1C(=O)N(C)CC1CCN(c2ccccc2)C1
InChIInChI=1S/C17H21N3OS/c1-13-16(22-12-18-13)17(21)19(2)10-14-8-9-20(11-14)15-6-4-3-5-7-15/h3-7,12,14H,8-11H2,1-2H3
InChIKeyHIDSEWVNHHKVFI-UHFFFAOYSA-N
XLogP3.05
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.44
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N,4-dimethyl-N-[(1-phenylpyrrolidin-3-yl)methyl]-1,3-thiazole-5-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

2,6-dihydroxy-N-methyl-N-[[(3S)-1-phenylpyrrolidin-3-yl]methyl]benzamide
CID 95210396
N,4-dimethyl-N-[[(3R)-1-[2-(2-methylphenyl)ethyl]piperidin-3-yl]methyl]-1,3-thiazole-5-carboxamide
CID 42595998
N-[[1-[2-(2-methoxyphenyl)ethyl]piperidin-4-yl]methyl]-N,4-dimethyl-1,3-thiazole-5-carboxamide
CID 25379592
N-[[1-[2-(2-fluorophenyl)ethyl]piperidin-3-yl]methyl]-N,4-dimethyl-1,3-thiazole-5-carboxamide
CID 45234391
N-methyl-2-(1-methylimidazol-2-yl)-N-[[(3S)-1-phenylpyrrolidin-3-yl]methyl]benzamide
CID 97131034
N-methyl-2-(1-methylimidazol-2-yl)-N-[(1-phenylpyrrolidin-3-yl)methyl]benzamide
CID 70744638
2-cyano-N-methyl-N-[(1-phenylpyrrolidin-3-yl)methyl]benzamide
CID 70778468
N-methyl-1-(4-methylphenyl)-N-[(1-phenylpyrrolidin-3-yl)methyl]cyclopropane-1-carboxamide
CID 70765652
N,2-dimethyl-N-[[(3S)-1-phenylpyrrolidin-3-yl]methyl]-3H-benzimidazole-5-carboxamide
CID 96575921
N-methyl-7-oxo-N-[[(3S)-1-phenylpyrrolidin-3-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidine-5-carboxamide
CID 97153544
N,1-dimethyl-N-[[(3S)-1-phenylpyrrolidin-3-yl]methyl]-3-propan-2-ylpyrazole-5-carboxamide
CID 96578217
N-methyl-N-[(1-phenylpyrrolidin-3-yl)methyl]-2-thiophen-3-ylacetamide
CID 70779633

Frequently Asked Questions

What is the IUPAC name of N,4-dimethyl-N-[(1-phenylpyrrolidin-3-yl)methyl]-1,3-thiazole-5-carboxamide?
The IUPAC name of N,4-dimethyl-N-[(1-phenylpyrrolidin-3-yl)methyl]-1,3-thiazole-5-carboxamide (CID 70739845) is N,4-dimethyl-N-[(1-phenylpyrrolidin-3-yl)methyl]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N,4-dimethyl-N-[(1-phenylpyrrolidin-3-yl)methyl]-1,3-thiazole-5-carboxamide?
The canonical SMILES for N,4-dimethyl-N-[(1-phenylpyrrolidin-3-yl)methyl]-1,3-thiazole-5-carboxamide is Cc1ncsc1C(=O)N(C)CC1CCN(c2ccccc2)C1.
What is the InChIKey of N,4-dimethyl-N-[(1-phenylpyrrolidin-3-yl)methyl]-1,3-thiazole-5-carboxamide?
The InChIKey is HIDSEWVNHHKVFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3OS/c1-13-16(22-12-18-13)17(21)19(2)10-14-8-9-20(11-14)15-6-4-3-5-7-15/h3-7,12,14H,8-11H2,1-2H3.
What are the key properties of N,4-dimethyl-N-[(1-phenylpyrrolidin-3-yl)methyl]-1,3-thiazole-5-carboxamide?
N,4-dimethyl-N-[(1-phenylpyrrolidin-3-yl)methyl]-1,3-thiazole-5-carboxamide has a molecular weight of 315.44 g/mol, XLogP of 3.05, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,4-dimethyl-N-[(1-phenylpyrrolidin-3-yl)methyl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 70739845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).