3-methyl-5-(methylamino)-N-[(4-pyrrolidin-1-ylphenyl)methyl]-1,2-thiazole-4-carboxamide

C17H22N4OS — CID 51078992

IUPAC3-methyl-5-(methylamino)-N-[(4-pyrrolidin-1-ylphenyl)methyl]-1,2-thiazole-4-carboxamide
SMILESCNc1snc(C)c1C(=O)NCc1ccc(N2CCCC2)cc1
InChIInChI=1S/C17H22N4OS/c1-12-15(17(18-2)23-20-12)16(22)19-11-13-5-7-14(8-6-13)21-9-3-4-10-21/h5-8,18H,3-4,9-11H2,1-2H3,(H,19,22)
InChIKeyUCYBKUSHWPXCCZ-UHFFFAOYSA-N
MW330.46 g/mol
LogP3.02
Rot. Bonds5

About 3-methyl-5-(methylamino)-N-[(4-pyrrolidin-1-ylphenyl)methyl]-1,2-thiazole-4-carboxamide

3-methyl-5-(methylamino)-N-[(4-pyrrolidin-1-ylphenyl)methyl]-1,2-thiazole-4-carboxamide (PubChem CID 51078992) has the molecular formula C17H22N4OS and a molecular weight of 330.46 g/mol. Its IUPAC name is 3-methyl-5-(methylamino)-N-[(4-pyrrolidin-1-ylphenyl)methyl]-1,2-thiazole-4-carboxamide.

Molecular Properties

Compound Name3-methyl-5-(methylamino)-N-[(4-pyrrolidin-1-ylphenyl)methyl]-1,2-thiazole-4-carboxamide
PubChem CID51078992
Molecular FormulaC17H22N4OS
Molecular Weight330.46 g/mol
Exact Mass330.15
IUPAC Name3-methyl-5-(methylamino)-N-[(4-pyrrolidin-1-ylphenyl)methyl]-1,2-thiazole-4-carboxamide
SMILESCNc1snc(C)c1C(=O)NCc1ccc(N2CCCC2)cc1
InChIInChI=1S/C17H22N4OS/c1-12-15(17(18-2)23-20-12)16(22)19-11-13-5-7-14(8-6-13)21-9-3-4-10-21/h5-8,18H,3-4,9-11H2,1-2H3,(H,19,22)
InChIKeyUCYBKUSHWPXCCZ-UHFFFAOYSA-N
XLogP3.02
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.46
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

Analyze 3-methyl-5-(methylamino)-N-[(4-pyrrolidin-1-ylphenyl)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

Related Compounds

3-methyl-5-(methylamino)-N-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]-1,2-thiazole-4-carboxamide
CID 71881904
3-methyl-N-[(4-pyrrolidin-1-ylphenyl)methyl]-1,2-thiazole-4-carboxamide
CID 154837608
3-methyl-5-(methylamino)-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]-1,2-thiazole-4-carboxamide
CID 38544423
3-methyl-5-(methylamino)-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]-1,2-thiazole-4-carboxamide
CID 134024210
[3-methyl-5-(methylamino)-1,2-thiazol-4-yl]-(4-phenylpiperazin-1-yl)methanone
CID 27449003
4-(methoxymethyl)-N-[(4-pyrrolidin-1-ylphenyl)methyl]benzamide
CID 35613985
N-[(3-butoxyphenyl)methyl]-3-methyl-5-(methylamino)-1,2-thiazole-4-carboxamide
CID 60517443
4-bromo-2-methyl-N-[(4-pyrrolidin-1-ylphenyl)methyl]benzamide
CID 55851395
N-[(2-hydroxy-1-methylcyclohexyl)methyl]-3-methyl-5-(methylamino)-1,2-thiazole-4-carboxamide
CID 111720171
2-(4-piperidin-1-ylphenyl)-N-(pyridin-4-ylmethyl)acetamide
CID 110648315
4-[(R)-methylsulfinyl]-N-[(4-pyrrolidin-1-ylphenyl)methyl]benzamide
CID 35616767
4-[(S)-methylsulfinyl]-N-[(4-pyrrolidin-1-ylphenyl)methyl]benzamide
CID 35616770

Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-(methylamino)-N-[(4-pyrrolidin-1-ylphenyl)methyl]-1,2-thiazole-4-carboxamide?
The IUPAC name of 3-methyl-5-(methylamino)-N-[(4-pyrrolidin-1-ylphenyl)methyl]-1,2-thiazole-4-carboxamide (CID 51078992) is 3-methyl-5-(methylamino)-N-[(4-pyrrolidin-1-ylphenyl)methyl]-1,2-thiazole-4-carboxamide.
What is the SMILES notation for 3-methyl-5-(methylamino)-N-[(4-pyrrolidin-1-ylphenyl)methyl]-1,2-thiazole-4-carboxamide?
The canonical SMILES for 3-methyl-5-(methylamino)-N-[(4-pyrrolidin-1-ylphenyl)methyl]-1,2-thiazole-4-carboxamide is CNc1snc(C)c1C(=O)NCc1ccc(N2CCCC2)cc1.
What is the InChIKey of 3-methyl-5-(methylamino)-N-[(4-pyrrolidin-1-ylphenyl)methyl]-1,2-thiazole-4-carboxamide?
The InChIKey is UCYBKUSHWPXCCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4OS/c1-12-15(17(18-2)23-20-12)16(22)19-11-13-5-7-14(8-6-13)21-9-3-4-10-21/h5-8,18H,3-4,9-11H2,1-2H3,(H,19,22).
What are the key properties of 3-methyl-5-(methylamino)-N-[(4-pyrrolidin-1-ylphenyl)methyl]-1,2-thiazole-4-carboxamide?
3-methyl-5-(methylamino)-N-[(4-pyrrolidin-1-ylphenyl)methyl]-1,2-thiazole-4-carboxamide has a molecular weight of 330.46 g/mol, XLogP of 3.02, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-(methylamino)-N-[(4-pyrrolidin-1-ylphenyl)methyl]-1,2-thiazole-4-carboxamide is sourced from PubChem (CID 51078992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).