N-benzyl-2-(2,3-dihydropyridin-4-ylamino)-1,3-thiazole-4-carboxamide

C16H16N4OS — CID 137484229

IUPACN-benzyl-2-(2,3-dihydropyridin-4-ylamino)-1,3-thiazole-4-carboxamide
SMILESO=C(NCc1ccccc1)c1csc(NC2=CC=NCC2)n1
InChIInChI=1S/C16H16N4OS/c21-15(18-10-12-4-2-1-3-5-12)14-11-22-16(20-14)19-13-6-8-17-9-7-13/h1-6,8,11H,7,9-10H2,(H,18,21)(H,19,20)
InChIKeyPPAYOMUTKVUOCS-UHFFFAOYSA-N
MW312.40 g/mol
LogP2.84
Rot. Bonds5

About N-benzyl-2-(2,3-dihydropyridin-4-ylamino)-1,3-thiazole-4-carboxamide

N-benzyl-2-(2,3-dihydropyridin-4-ylamino)-1,3-thiazole-4-carboxamide (PubChem CID 137484229) has the molecular formula C16H16N4OS and a molecular weight of 312.40 g/mol. Its IUPAC name is N-benzyl-2-(2,3-dihydropyridin-4-ylamino)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-benzyl-2-(2,3-dihydropyridin-4-ylamino)-1,3-thiazole-4-carboxamide
PubChem CID137484229
Molecular FormulaC16H16N4OS
Molecular Weight312.40 g/mol
Exact Mass312.10
IUPAC NameN-benzyl-2-(2,3-dihydropyridin-4-ylamino)-1,3-thiazole-4-carboxamide
SMILESO=C(NCc1ccccc1)c1csc(NC2=CC=NCC2)n1
InChIInChI=1S/C16H16N4OS/c21-15(18-10-12-4-2-1-3-5-12)14-11-22-16(20-14)19-13-6-8-17-9-7-13/h1-6,8,11H,7,9-10H2,(H,18,21)(H,19,20)
InChIKeyPPAYOMUTKVUOCS-UHFFFAOYSA-N
XLogP2.84
TPSA66.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.40
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-benzyl-2-(2,3-dihydropyridin-4-ylamino)-1,3-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

2-benzamido-N-benzyl-1,3-thiazole-4-carboxamide
CID 16914921
N-benzyl-2-(3,4-dimethylanilino)-1,3-thiazole-4-carboxamide
CID 5140917
2-anilino-N-(pyridin-3-ylmethyl)-1,3-thiazole-4-carboxamide
CID 30860119
N-benzyl-2-[(1-methylbenzimidazol-2-yl)amino]-1,3-thiazole-4-carboxamide
CID 117083706
N-benzyl-2-(pyridin-3-ylmethylamino)-1,3-thiazole-4-carboxamide
CID 117089108
N-[(4-phenylmethoxyphenyl)methyl]-2-(pyrimidin-2-ylamino)-1,3-thiazole-4-carboxamide
CID 90506073
2-[[2-(benzylcarbamoylamino)-1,3-thiazole-4-carbonyl]amino]acetic acid
CID 18322900
N-[(4-fluorophenyl)methyl]-2-[(2-phenylacetyl)amino]-1,3-thiazole-4-carboxamide
CID 84555777
N-[(4-fluorophenyl)methyl]-2-(naphthalen-1-ylamino)-1,3-thiazole-4-carboxamide
CID 3983544
N-benzyl-4-bromo-1,3-thiazole-2-carboxamide
CID 90935843
N-benzyl-2-[(4-methoxybenzoyl)amino]-1,3-thiazole-4-carboxamide
CID 84555626
N-benzyl-2-(4-methylphenyl)-1,3-thiazole-4-carboxamide
CID 9191739

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-(2,3-dihydropyridin-4-ylamino)-1,3-thiazole-4-carboxamide?
The IUPAC name of N-benzyl-2-(2,3-dihydropyridin-4-ylamino)-1,3-thiazole-4-carboxamide (CID 137484229) is N-benzyl-2-(2,3-dihydropyridin-4-ylamino)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-benzyl-2-(2,3-dihydropyridin-4-ylamino)-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-benzyl-2-(2,3-dihydropyridin-4-ylamino)-1,3-thiazole-4-carboxamide is O=C(NCc1ccccc1)c1csc(NC2=CC=NCC2)n1.
What is the InChIKey of N-benzyl-2-(2,3-dihydropyridin-4-ylamino)-1,3-thiazole-4-carboxamide?
The InChIKey is PPAYOMUTKVUOCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4OS/c21-15(18-10-12-4-2-1-3-5-12)14-11-22-16(20-14)19-13-6-8-17-9-7-13/h1-6,8,11H,7,9-10H2,(H,18,21)(H,19,20).
What are the key properties of N-benzyl-2-(2,3-dihydropyridin-4-ylamino)-1,3-thiazole-4-carboxamide?
N-benzyl-2-(2,3-dihydropyridin-4-ylamino)-1,3-thiazole-4-carboxamide has a molecular weight of 312.40 g/mol, XLogP of 2.84, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-(2,3-dihydropyridin-4-ylamino)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 137484229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).