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

C14H13N3OS — CID 110717665

IUPAC3-cyano-N-[2-(2-methyl-1,3-thiazol-5-yl)ethyl]benzamide
SMILESCc1ncc(CCNC(=O)c2cccc(C#N)c2)s1
InChIInChI=1S/C14H13N3OS/c1-10-17-9-13(19-10)5-6-16-14(18)12-4-2-3-11(7-12)8-15/h2-4,7,9H,5-6H2,1H3,(H,16,18)
InChIKeyAEESKDKBCXWRSN-UHFFFAOYSA-N
MW271.35 g/mol
LogP2.30
Rot. Bonds4

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

3-cyano-N-[2-(2-methyl-1,3-thiazol-5-yl)ethyl]benzamide (PubChem CID 110717665) has the molecular formula C14H13N3OS and a molecular weight of 271.35 g/mol. Its IUPAC name is 3-cyano-N-[2-(2-methyl-1,3-thiazol-5-yl)ethyl]benzamide.

Molecular Properties

Compound Name3-cyano-N-[2-(2-methyl-1,3-thiazol-5-yl)ethyl]benzamide
PubChem CID110717665
Molecular FormulaC14H13N3OS
Molecular Weight271.35 g/mol
Exact Mass271.08
IUPAC Name3-cyano-N-[2-(2-methyl-1,3-thiazol-5-yl)ethyl]benzamide
SMILESCc1ncc(CCNC(=O)c2cccc(C#N)c2)s1
InChIInChI=1S/C14H13N3OS/c1-10-17-9-13(19-10)5-6-16-14(18)12-4-2-3-11(7-12)8-15/h2-4,7,9H,5-6H2,1H3,(H,16,18)
InChIKeyAEESKDKBCXWRSN-UHFFFAOYSA-N
XLogP2.30
TPSA65.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.35
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-cyano-N-(2-methoxyethyl)benzamide
CID 24698142
3-cyano-N-(3-oxopropyl)benzamide
CID 166591775
2,6-dimethoxy-N-[2-(2-methyl-1,3-thiazol-5-yl)ethyl]benzamide
CID 110717671
N-[2-(2-methyl-1,3-thiazol-5-yl)ethyl]-4-(trifluoromethyl)benzamide
CID 110717697
3-cyano-N-[2-(2-hydroxyphenyl)ethyl]benzamide
CID 110605229
3-(2-methoxyethoxy)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]benzamide
CID 86835966
N-[2-(carbamoylamino)ethyl]-3-cyanobenzamide
CID 78993904
3-cyano-N-(2-oxopropyl)benzamide
CID 64997343
3-cyano-N-[3-[(5-methyl-1,2-oxazol-3-yl)amino]-3-oxopropyl]benzamide
CID 110370348
3-cyano-N-(2-ethoxyethyl)benzamide
CID 43591437
3-cyano-N-[2-[(2-methyl-6-pyrrol-1-ylpyrimidin-4-yl)amino]ethyl]benzamide
CID 122308613
N-[2-(3-chlorophenyl)ethyl]-3-cyanobenzamide
CID 31251030

Frequently Asked Questions

What is the IUPAC name of 3-cyano-N-[2-(2-methyl-1,3-thiazol-5-yl)ethyl]benzamide?
The IUPAC name of 3-cyano-N-[2-(2-methyl-1,3-thiazol-5-yl)ethyl]benzamide (CID 110717665) is 3-cyano-N-[2-(2-methyl-1,3-thiazol-5-yl)ethyl]benzamide.
What is the SMILES notation for 3-cyano-N-[2-(2-methyl-1,3-thiazol-5-yl)ethyl]benzamide?
The canonical SMILES for 3-cyano-N-[2-(2-methyl-1,3-thiazol-5-yl)ethyl]benzamide is Cc1ncc(CCNC(=O)c2cccc(C#N)c2)s1.
What is the InChIKey of 3-cyano-N-[2-(2-methyl-1,3-thiazol-5-yl)ethyl]benzamide?
The InChIKey is AEESKDKBCXWRSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3OS/c1-10-17-9-13(19-10)5-6-16-14(18)12-4-2-3-11(7-12)8-15/h2-4,7,9H,5-6H2,1H3,(H,16,18).
What are the key properties of 3-cyano-N-[2-(2-methyl-1,3-thiazol-5-yl)ethyl]benzamide?
3-cyano-N-[2-(2-methyl-1,3-thiazol-5-yl)ethyl]benzamide has a molecular weight of 271.35 g/mol, XLogP of 2.30, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyano-N-[2-(2-methyl-1,3-thiazol-5-yl)ethyl]benzamide is sourced from PubChem (CID 110717665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).