N-benzyl-N-ethyl-2-pyridin-3-yl-1,3-thiazole-4-carboxamide

C18H17N3OS — CID 110648241

IUPACN-benzyl-N-ethyl-2-pyridin-3-yl-1,3-thiazole-4-carboxamide
SMILESCCN(Cc1ccccc1)C(=O)c1csc(-c2cccnc2)n1
InChIInChI=1S/C18H17N3OS/c1-2-21(12-14-7-4-3-5-8-14)18(22)16-13-23-17(20-16)15-9-6-10-19-11-15/h3-11,13H,2,12H2,1H3
InChIKeyOKUXLTCIVRZTLC-UHFFFAOYSA-N
MW323.42 g/mol
LogP3.87
Rot. Bonds5

About N-benzyl-N-ethyl-2-pyridin-3-yl-1,3-thiazole-4-carboxamide

N-benzyl-N-ethyl-2-pyridin-3-yl-1,3-thiazole-4-carboxamide (PubChem CID 110648241) has the molecular formula C18H17N3OS and a molecular weight of 323.42 g/mol. Its IUPAC name is N-benzyl-N-ethyl-2-pyridin-3-yl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-benzyl-N-ethyl-2-pyridin-3-yl-1,3-thiazole-4-carboxamide
PubChem CID110648241
Molecular FormulaC18H17N3OS
Molecular Weight323.42 g/mol
Exact Mass323.11
IUPAC NameN-benzyl-N-ethyl-2-pyridin-3-yl-1,3-thiazole-4-carboxamide
SMILESCCN(Cc1ccccc1)C(=O)c1csc(-c2cccnc2)n1
InChIInChI=1S/C18H17N3OS/c1-2-21(12-14-7-4-3-5-8-14)18(22)16-13-23-17(20-16)15-9-6-10-19-11-15/h3-11,13H,2,12H2,1H3
InChIKeyOKUXLTCIVRZTLC-UHFFFAOYSA-N
XLogP3.87
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.42
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N-benzyl-N-ethyl-2-pyridin-3-yl-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

N-[(4-ethylphenyl)methyl]-2-(4-methoxyphenyl)-N-(pyridin-3-ylmethyl)-1,3-thiazole-4-carboxamide
CID 35541680
1-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethanone
CID 22888692
N-[2-(dimethylamino)ethyl]-2-(4-methoxyphenyl)-N-(pyridin-3-ylmethyl)-1,3-thiazole-4-carboxamide
CID 86824224
bis(2-pyridin-3-yl-1,3-thiazol-4-yl)methanone
CID 175265157
N-benzyl-N-ethylpyridine-3-carboxamide;hydrochloride
CID 110755487
N-benzyl-N-(2-methoxyethyl)-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide
CID 99152320
2-phenyl-N-(2-pyridin-3-ylethyl)-1,3-thiazole-4-carboxamide
CID 46546339
N-(3-aminopropyl)-N-benzyl-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide
CID 120649145
S-(methylamino) N-amino-N-(2-pyridin-3-yl-1,3-thiazole-4-carbonyl)carbamothioate
CID 21148157
N-benzyl-N-ethyl-4-(pyridin-3-ylmethylamino)pyridine-2-carboxamide
CID 109212489
N-benzyl-N-ethylisoquinoline-8-carboxamide
CID 110851851
N-hydroxy-2-pyridin-3-yl-1,3-thiazole-4-carboxamide
CID 604917

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-ethyl-2-pyridin-3-yl-1,3-thiazole-4-carboxamide?
The IUPAC name of N-benzyl-N-ethyl-2-pyridin-3-yl-1,3-thiazole-4-carboxamide (CID 110648241) is N-benzyl-N-ethyl-2-pyridin-3-yl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-benzyl-N-ethyl-2-pyridin-3-yl-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-benzyl-N-ethyl-2-pyridin-3-yl-1,3-thiazole-4-carboxamide is CCN(Cc1ccccc1)C(=O)c1csc(-c2cccnc2)n1.
What is the InChIKey of N-benzyl-N-ethyl-2-pyridin-3-yl-1,3-thiazole-4-carboxamide?
The InChIKey is OKUXLTCIVRZTLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3OS/c1-2-21(12-14-7-4-3-5-8-14)18(22)16-13-23-17(20-16)15-9-6-10-19-11-15/h3-11,13H,2,12H2,1H3.
What are the key properties of N-benzyl-N-ethyl-2-pyridin-3-yl-1,3-thiazole-4-carboxamide?
N-benzyl-N-ethyl-2-pyridin-3-yl-1,3-thiazole-4-carboxamide has a molecular weight of 323.42 g/mol, XLogP of 3.87, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-ethyl-2-pyridin-3-yl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 110648241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).