3-cyano-N-(4,5-dihydro-1,3-thiazol-2-yl)benzamide

C11H9N3OS — CID 2635778

IUPAC3-cyano-N-(4,5-dihydro-1,3-thiazol-2-yl)benzamide
SMILESN#Cc1cccc(C(=O)NC2=NCCS2)c1
InChIInChI=1S/C11H9N3OS/c12-7-8-2-1-3-9(6-8)10(15)14-11-13-4-5-16-11/h1-3,6H,4-5H2,(H,13,14,15)
InChIKeyWQUYVLGWCFDYKQ-UHFFFAOYSA-N
MW231.28 g/mol
LogP1.39
Rot. Bonds1

About 3-cyano-N-(4,5-dihydro-1,3-thiazol-2-yl)benzamide

3-cyano-N-(4,5-dihydro-1,3-thiazol-2-yl)benzamide (PubChem CID 2635778) has the molecular formula C11H9N3OS and a molecular weight of 231.28 g/mol. Its IUPAC name is 3-cyano-N-(4,5-dihydro-1,3-thiazol-2-yl)benzamide.

Molecular Properties

Compound Name3-cyano-N-(4,5-dihydro-1,3-thiazol-2-yl)benzamide
PubChem CID2635778
Molecular FormulaC11H9N3OS
Molecular Weight231.28 g/mol
Exact Mass231.05
IUPAC Name3-cyano-N-(4,5-dihydro-1,3-thiazol-2-yl)benzamide
SMILESN#Cc1cccc(C(=O)NC2=NCCS2)c1
InChIInChI=1S/C11H9N3OS/c12-7-8-2-1-3-9(6-8)10(15)14-11-13-4-5-16-11/h1-3,6H,4-5H2,(H,13,14,15)
InChIKeyWQUYVLGWCFDYKQ-UHFFFAOYSA-N
XLogP1.39
TPSA65.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.28
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-N,4-N-bis(4,5-dihydro-1,3-thiazol-2-yl)benzene-1,4-dicarboxamide
CID 4066059
N-(4,5-dihydro-1,3-thiazol-2-yl)pyridine-4-carboxamide
CID 2110722
3-[(3-chlorophenyl)methoxy]-N-(4,5-dihydro-1,3-thiazol-2-yl)benzamide
CID 60572586
3-cyano-N-(2,6-dichlorophenyl)benzamide
CID 43386585
N-(5-amino-1,3,4-thiadiazol-2-yl)-3-cyanobenzamide
CID 79512579
N-(4-chlorophenyl)-3-cyanobenzamide
CID 1475891
3-cyano-N-(2-iodophenyl)benzamide
CID 7900624
5-[(3-cyanobenzoyl)amino]benzene-1,3-dicarboxylic acid
CID 10448085
3-cyano-N-(4-methyl-1,3-thiazol-2-yl)benzamide
CID 7770854
3-cyano-N-(2,3,5,6-tetrafluorophenyl)benzamide
CID 103600288
3-cyano-N-[4-(methylcarbamoyl)phenyl]benzamide
CID 2649522
3-cyano-N-[6-(dimethylamino)-3-pyridinyl]benzamide
CID 30272011

Frequently Asked Questions

What is the IUPAC name of 3-cyano-N-(4,5-dihydro-1,3-thiazol-2-yl)benzamide?
The IUPAC name of 3-cyano-N-(4,5-dihydro-1,3-thiazol-2-yl)benzamide (CID 2635778) is 3-cyano-N-(4,5-dihydro-1,3-thiazol-2-yl)benzamide.
What is the SMILES notation for 3-cyano-N-(4,5-dihydro-1,3-thiazol-2-yl)benzamide?
The canonical SMILES for 3-cyano-N-(4,5-dihydro-1,3-thiazol-2-yl)benzamide is N#Cc1cccc(C(=O)NC2=NCCS2)c1.
What is the InChIKey of 3-cyano-N-(4,5-dihydro-1,3-thiazol-2-yl)benzamide?
The InChIKey is WQUYVLGWCFDYKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9N3OS/c12-7-8-2-1-3-9(6-8)10(15)14-11-13-4-5-16-11/h1-3,6H,4-5H2,(H,13,14,15).
What are the key properties of 3-cyano-N-(4,5-dihydro-1,3-thiazol-2-yl)benzamide?
3-cyano-N-(4,5-dihydro-1,3-thiazol-2-yl)benzamide has a molecular weight of 231.28 g/mol, XLogP of 1.39, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyano-N-(4,5-dihydro-1,3-thiazol-2-yl)benzamide is sourced from PubChem (CID 2635778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).