N,2-dimethyl-4-phenyl-N-pyrrolidin-3-yl-1,3-thiazole-5-carboxamide

C16H19N3OS — CID 119549917

IUPACN,2-dimethyl-4-phenyl-N-pyrrolidin-3-yl-1,3-thiazole-5-carboxamide
SMILESCc1nc(-c2ccccc2)c(C(=O)N(C)C2CCNC2)s1
InChIInChI=1S/C16H19N3OS/c1-11-18-14(12-6-4-3-5-7-12)15(21-11)16(20)19(2)13-8-9-17-10-13/h3-7,13,17H,8-10H2,1-2H3
InChIKeyPQDQFGBOSBTNFE-UHFFFAOYSA-N
MW301.42 g/mol
LogP2.55
Rot. Bonds3

About N,2-dimethyl-4-phenyl-N-pyrrolidin-3-yl-1,3-thiazole-5-carboxamide

N,2-dimethyl-4-phenyl-N-pyrrolidin-3-yl-1,3-thiazole-5-carboxamide (PubChem CID 119549917) has the molecular formula C16H19N3OS and a molecular weight of 301.42 g/mol. Its IUPAC name is N,2-dimethyl-4-phenyl-N-pyrrolidin-3-yl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN,2-dimethyl-4-phenyl-N-pyrrolidin-3-yl-1,3-thiazole-5-carboxamide
PubChem CID119549917
Molecular FormulaC16H19N3OS
Molecular Weight301.42 g/mol
Exact Mass301.12
IUPAC NameN,2-dimethyl-4-phenyl-N-pyrrolidin-3-yl-1,3-thiazole-5-carboxamide
SMILESCc1nc(-c2ccccc2)c(C(=O)N(C)C2CCNC2)s1
InChIInChI=1S/C16H19N3OS/c1-11-18-14(12-6-4-3-5-7-12)15(21-11)16(20)19(2)13-8-9-17-10-13/h3-7,13,17H,8-10H2,1-2H3
InChIKeyPQDQFGBOSBTNFE-UHFFFAOYSA-N
XLogP2.55
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.42
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N,2-dimethyl-4-phenyl-N-pyrrolidin-3-yl-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

N-methyl-5-phenyl-N-pyrrolidin-3-ylpyridine-3-carboxamide
CID 119552362
N-methyl-5-phenyl-N-pyrrolidin-3-ylpyridine-3-carboxamide;dihydrochloride
CID 119552361
1-(2-methyl-4-phenyl-1,3-thiazol-5-yl)ethanone
CID 59263615
2-cyclopentyl-N,4-dimethyl-N-pyrrolidin-3-yl-1,3-thiazole-5-carboxamide
CID 119554200
3-hydroxy-N,2-dimethyl-N-pyrrolidin-3-ylbenzamide
CID 82829855
N,2-dimethyl-N-pyrrolidin-3-yl-1H-pyrrole-3-carboxamide;hydrochloride
CID 119554205
2-(4-methoxyphenyl)-N-methyl-N-pyrrolidin-3-ylquinoline-4-carboxamide
CID 119551826
2-methyl-4-(4-phenylphenyl)-1,3-thiazole-5-carboxylic acid
CID 95495373
N-methyl-2-(4-methylbenzoyl)-N-[(3R)-pyrrolidin-3-yl]benzamide
CID 124613629
N-methyl-N-[(3R)-pyrrolidin-3-yl]thiophene-2-carboxamide
CID 71640939
2-bromo-N,3-dimethyl-N-pyrrolidin-3-ylbenzamide
CID 107983110
4-methoxy-N-methyl-N-pyrrolidin-3-ylnaphthalene-1-carboxamide;hydrochloride
CID 119552054

Frequently Asked Questions

What is the IUPAC name of N,2-dimethyl-4-phenyl-N-pyrrolidin-3-yl-1,3-thiazole-5-carboxamide?
The IUPAC name of N,2-dimethyl-4-phenyl-N-pyrrolidin-3-yl-1,3-thiazole-5-carboxamide (CID 119549917) is N,2-dimethyl-4-phenyl-N-pyrrolidin-3-yl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N,2-dimethyl-4-phenyl-N-pyrrolidin-3-yl-1,3-thiazole-5-carboxamide?
The canonical SMILES for N,2-dimethyl-4-phenyl-N-pyrrolidin-3-yl-1,3-thiazole-5-carboxamide is Cc1nc(-c2ccccc2)c(C(=O)N(C)C2CCNC2)s1.
What is the InChIKey of N,2-dimethyl-4-phenyl-N-pyrrolidin-3-yl-1,3-thiazole-5-carboxamide?
The InChIKey is PQDQFGBOSBTNFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3OS/c1-11-18-14(12-6-4-3-5-7-12)15(21-11)16(20)19(2)13-8-9-17-10-13/h3-7,13,17H,8-10H2,1-2H3.
What are the key properties of N,2-dimethyl-4-phenyl-N-pyrrolidin-3-yl-1,3-thiazole-5-carboxamide?
N,2-dimethyl-4-phenyl-N-pyrrolidin-3-yl-1,3-thiazole-5-carboxamide has a molecular weight of 301.42 g/mol, XLogP of 2.55, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethyl-4-phenyl-N-pyrrolidin-3-yl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 119549917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).