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

C14H13N3OS — CID 112697308

IUPAC4-cyano-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]benzamide
SMILESCc1cnc(C(C)NC(=O)c2ccc(C#N)cc2)s1
InChIInChI=1S/C14H13N3OS/c1-9-8-16-14(19-9)10(2)17-13(18)12-5-3-11(7-15)4-6-12/h3-6,8,10H,1-2H3,(H,17,18)
InChIKeyBWFBSSIFUCVLBX-UHFFFAOYSA-N
MW271.35 g/mol
LogP2.81
Rot. Bonds3

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

4-cyano-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]benzamide (PubChem CID 112697308) has the molecular formula C14H13N3OS and a molecular weight of 271.35 g/mol. Its IUPAC name is 4-cyano-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]benzamide.

Molecular Properties

Compound Name4-cyano-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]benzamide
PubChem CID112697308
Molecular FormulaC14H13N3OS
Molecular Weight271.35 g/mol
Exact Mass271.08
IUPAC Name4-cyano-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]benzamide
SMILESCc1cnc(C(C)NC(=O)c2ccc(C#N)cc2)s1
InChIInChI=1S/C14H13N3OS/c1-9-8-16-14(19-9)10(2)17-13(18)12-5-3-11(7-15)4-6-12/h3-6,8,10H,1-2H3,(H,17,18)
InChIKeyBWFBSSIFUCVLBX-UHFFFAOYSA-N
XLogP2.81
TPSA65.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.35
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-cyano-N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]benzamide
CID 115679309
2-[4-[1-(5-methyl-1,3-thiazol-2-yl)ethylcarbamoyl]phenoxy]acetic acid
CID 146107303
3-amino-4-methyl-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]benzamide
CID 112702022
3,5-dibromo-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]benzamide
CID 103908469
2,6-dichloro-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]pyridine-4-carboxamide
CID 113251802
4-cyano-N-[1-(4-propan-2-ylphenyl)ethyl]benzamide
CID 43010261
2-bromo-4-methyl-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]benzamide
CID 112704951
5-amino-2,4-dimethyl-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]benzamide
CID 102705874
N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]-6-oxo-1H-pyridine-2-carboxamide
CID 114040411
4-chloro-N-[1-(4-cyanophenyl)ethyl]benzamide
CID 47161757
N-[1-(4-chlorophenyl)ethyl]-4-cyanobenzamide
CID 4823964
5-[1-(5-methyl-1,3-thiazol-2-yl)ethylcarbamoyl]furan-3-carboxylic acid
CID 104607848

Frequently Asked Questions

What is the IUPAC name of 4-cyano-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]benzamide?
The IUPAC name of 4-cyano-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]benzamide (CID 112697308) is 4-cyano-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]benzamide.
What is the SMILES notation for 4-cyano-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]benzamide?
The canonical SMILES for 4-cyano-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]benzamide is Cc1cnc(C(C)NC(=O)c2ccc(C#N)cc2)s1.
What is the InChIKey of 4-cyano-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]benzamide?
The InChIKey is BWFBSSIFUCVLBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3OS/c1-9-8-16-14(19-9)10(2)17-13(18)12-5-3-11(7-15)4-6-12/h3-6,8,10H,1-2H3,(H,17,18).
What are the key properties of 4-cyano-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]benzamide?
4-cyano-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]benzamide has a molecular weight of 271.35 g/mol, XLogP of 2.81, 3 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-methyl-1,3-thiazol-2-yl)ethyl]benzamide is sourced from PubChem (CID 112697308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).