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

C15H15N3OS — CID 71994048

IUPAC4-cyano-N-[2-(5-ethyl-1,3-thiazol-2-yl)ethyl]benzamide
SMILESCCc1cnc(CCNC(=O)c2ccc(C#N)cc2)s1
InChIInChI=1S/C15H15N3OS/c1-2-13-10-18-14(20-13)7-8-17-15(19)12-5-3-11(9-16)4-6-12/h3-6,10H,2,7-8H2,1H3,(H,17,19)
InChIKeyXRSBSMYXLZDYJL-UHFFFAOYSA-N
MW285.37 g/mol
LogP2.55
Rot. Bonds5

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

4-cyano-N-[2-(5-ethyl-1,3-thiazol-2-yl)ethyl]benzamide (PubChem CID 71994048) has the molecular formula C15H15N3OS and a molecular weight of 285.37 g/mol. Its IUPAC name is 4-cyano-N-[2-(5-ethyl-1,3-thiazol-2-yl)ethyl]benzamide.

Molecular Properties

Compound Name4-cyano-N-[2-(5-ethyl-1,3-thiazol-2-yl)ethyl]benzamide
PubChem CID71994048
Molecular FormulaC15H15N3OS
Molecular Weight285.37 g/mol
Exact Mass285.09
IUPAC Name4-cyano-N-[2-(5-ethyl-1,3-thiazol-2-yl)ethyl]benzamide
SMILESCCc1cnc(CCNC(=O)c2ccc(C#N)cc2)s1
InChIInChI=1S/C15H15N3OS/c1-2-13-10-18-14(20-13)7-8-17-15(19)12-5-3-11(9-16)4-6-12/h3-6,10H,2,7-8H2,1H3,(H,17,19)
InChIKeyXRSBSMYXLZDYJL-UHFFFAOYSA-N
XLogP2.55
TPSA65.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.37
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[2-(5-ethyl-1,3-thiazol-2-yl)ethylamino]benzonitrile
CID 133325866
6-[2-(5-ethyl-1,3-thiazol-2-yl)ethylamino]pyridine-3-carbonitrile
CID 133325986
4-cyano-N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]benzamide
CID 115679309
N-[2-(5-ethyl-1,3-thiazol-2-yl)ethyl]-1-methylpyrrole-2-carboxamide
CID 71994022
5-[2-(5-ethyl-1,3-thiazol-2-yl)ethylcarbamoyl]pyrazine-2-carboxylic acid
CID 120685817
2-[2-ethoxy-4-[2-(5-ethyl-1,3-thiazol-2-yl)ethylcarbamoyl]phenoxy]acetic acid
CID 119186959
N-butyl-4-[[[N-[2-(5-ethyl-1,3-thiazol-2-yl)ethyl]-N'-methylcarbamimidoyl]amino]methyl]benzamide
CID 111533089
6-[2-(5-ethyl-1,3-thiazol-2-yl)ethylamino]-N-prop-2-ynylpyridine-3-carboxamide
CID 133325827
N-ethyl-4-[[[N-[2-(5-ethyl-1,3-thiazol-2-yl)ethyl]-N'-methylcarbamimidoyl]amino]methyl]benzamide;hydroiodide
CID 111531870
N-[2-[[N-[2-(5-ethyl-1,3-thiazol-2-yl)ethyl]-N'-methylcarbamimidoyl]amino]ethyl]-3-fluoro-4-methylbenzamide;hydroiodide
CID 111531090
2-(4-aminophenyl)-N-[2-(5-ethyl-1,3-thiazol-2-yl)ethyl]acetamide;dihydrochloride
CID 119895978
N-[2-(5-ethyl-1,3-thiazol-2-yl)ethyl]-1,7-naphthyridine-8-carboxamide
CID 138026322

Frequently Asked Questions

What is the IUPAC name of 4-cyano-N-[2-(5-ethyl-1,3-thiazol-2-yl)ethyl]benzamide?
The IUPAC name of 4-cyano-N-[2-(5-ethyl-1,3-thiazol-2-yl)ethyl]benzamide (CID 71994048) is 4-cyano-N-[2-(5-ethyl-1,3-thiazol-2-yl)ethyl]benzamide.
What is the SMILES notation for 4-cyano-N-[2-(5-ethyl-1,3-thiazol-2-yl)ethyl]benzamide?
The canonical SMILES for 4-cyano-N-[2-(5-ethyl-1,3-thiazol-2-yl)ethyl]benzamide is CCc1cnc(CCNC(=O)c2ccc(C#N)cc2)s1.
What is the InChIKey of 4-cyano-N-[2-(5-ethyl-1,3-thiazol-2-yl)ethyl]benzamide?
The InChIKey is XRSBSMYXLZDYJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3OS/c1-2-13-10-18-14(20-13)7-8-17-15(19)12-5-3-11(9-16)4-6-12/h3-6,10H,2,7-8H2,1H3,(H,17,19).
What are the key properties of 4-cyano-N-[2-(5-ethyl-1,3-thiazol-2-yl)ethyl]benzamide?
4-cyano-N-[2-(5-ethyl-1,3-thiazol-2-yl)ethyl]benzamide has a molecular weight of 285.37 g/mol, XLogP of 2.55, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyano-N-[2-(5-ethyl-1,3-thiazol-2-yl)ethyl]benzamide is sourced from PubChem (CID 71994048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).