4-cyano-N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]benzamide

C15H15N3OS — CID 115679309

IUPAC4-cyano-N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]benzamide
SMILESCCc1cnc(C(C)NC(=O)c2ccc(C#N)cc2)s1
InChIInChI=1S/C15H15N3OS/c1-3-13-9-17-15(20-13)10(2)18-14(19)12-6-4-11(8-16)5-7-12/h4-7,9-10H,3H2,1-2H3,(H,18,19)
InChIKeyLDIVZKAFACAYGW-UHFFFAOYSA-N
MW285.37 g/mol
LogP3.07
Rot. Bonds4

About 4-cyano-N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]benzamide

4-cyano-N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]benzamide (PubChem CID 115679309) has the molecular formula C15H15N3OS and a molecular weight of 285.37 g/mol. Its IUPAC name is 4-cyano-N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]benzamide.

Molecular Properties

Compound Name4-cyano-N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]benzamide
PubChem CID115679309
Molecular FormulaC15H15N3OS
Molecular Weight285.37 g/mol
Exact Mass285.09
IUPAC Name4-cyano-N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]benzamide
SMILESCCc1cnc(C(C)NC(=O)c2ccc(C#N)cc2)s1
InChIInChI=1S/C15H15N3OS/c1-3-13-9-17-15(20-13)10(2)18-14(19)12-6-4-11(8-16)5-7-12/h4-7,9-10H,3H2,1-2H3,(H,18,19)
InChIKeyLDIVZKAFACAYGW-UHFFFAOYSA-N
XLogP3.07
TPSA65.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.37
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-cyano-N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]benzamide 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-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-4-fluorobenzamide
CID 113251187
4-cyano-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]benzamide
CID 112697308
N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-3,4,5-trifluorobenzamide
CID 115679317
N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-2-hydroxybenzamide
CID 112696838
4-cyano-N-[2-(5-ethyl-1,3-thiazol-2-yl)ethyl]benzamide
CID 71994048
N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-2-hydrazinylpyridine-4-carboxamide
CID 113387514
1-cyano-N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]cyclopropane-1-carboxamide
CID 113387290
2,4-dibromo-N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]benzamide
CID 103883113
1-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-3-[(2S)-2-hydroxypropyl]urea
CID 102563246
1-cyano-N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]cyclopentane-1-carboxamide
CID 112696825
5-(aminomethyl)-N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]furan-2-carboxamide
CID 115740766
2-chloro-N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-6-(methylamino)pyridine-4-carboxamide
CID 115679300

Frequently Asked Questions

What is the IUPAC name of 4-cyano-N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]benzamide?
The IUPAC name of 4-cyano-N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]benzamide (CID 115679309) is 4-cyano-N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]benzamide.
What is the SMILES notation for 4-cyano-N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]benzamide?
The canonical SMILES for 4-cyano-N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]benzamide is CCc1cnc(C(C)NC(=O)c2ccc(C#N)cc2)s1.
What is the InChIKey of 4-cyano-N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]benzamide?
The InChIKey is LDIVZKAFACAYGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3OS/c1-3-13-9-17-15(20-13)10(2)18-14(19)12-6-4-11(8-16)5-7-12/h4-7,9-10H,3H2,1-2H3,(H,18,19).
What are the key properties of 4-cyano-N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]benzamide?
4-cyano-N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]benzamide has a molecular weight of 285.37 g/mol, XLogP of 3.07, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyano-N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]benzamide is sourced from PubChem (CID 115679309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).