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

C17H13N3OS2 — CID 8940458

IUPAC4-cyano-N-[[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]methyl]benzamide
SMILESCc1nc(-c2ccc(CNC(=O)c3ccc(C#N)cc3)s2)cs1
InChIInChI=1S/C17H13N3OS2/c1-11-20-15(10-22-11)16-7-6-14(23-16)9-19-17(21)13-4-2-12(8-18)3-5-13/h2-7,10H,9H2,1H3,(H,19,21)
InChIKeyCDZYVJZATJJRKL-UHFFFAOYSA-N
MW339.45 g/mol
LogP3.98
Rot. Bonds4

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

4-cyano-N-[[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]methyl]benzamide (PubChem CID 8940458) has the molecular formula C17H13N3OS2 and a molecular weight of 339.45 g/mol. Its IUPAC name is 4-cyano-N-[[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]methyl]benzamide.

Molecular Properties

Compound Name4-cyano-N-[[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]methyl]benzamide
PubChem CID8940458
Molecular FormulaC17H13N3OS2
Molecular Weight339.45 g/mol
Exact Mass339.05
IUPAC Name4-cyano-N-[[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]methyl]benzamide
SMILESCc1nc(-c2ccc(CNC(=O)c3ccc(C#N)cc3)s2)cs1
InChIInChI=1S/C17H13N3OS2/c1-11-20-15(10-22-11)16-7-6-14(23-16)9-19-17(21)13-4-2-12(8-18)3-5-13/h2-7,10H,9H2,1H3,(H,19,21)
InChIKeyCDZYVJZATJJRKL-UHFFFAOYSA-N
XLogP3.98
TPSA65.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.45
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-methyl-N-[2-[[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]methylamino]-2-oxoethyl]benzamide
CID 24550813
3-methyl-N-[[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]methyl]benzamide
CID 17488570
3-methoxy-N-[[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]methyl]benzamide
CID 8940413
3-fluoro-N-[[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]methyl]benzamide
CID 17488005
N-[[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]methyl]-4-(morpholin-4-ylmethyl)benzamide
CID 17462344
4-cyano-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]benzamide
CID 16568157
N-[[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]methyl]-2-thiophen-2-ylacetamide
CID 8940367
2,4,5-trimethoxy-N-[[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]methyl]benzamide
CID 40707333
4-(2-amino-2-oxoethoxy)-3,5-dimethoxy-N-[[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]methyl]benzamide
CID 24516217
N-[2-[[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]methylamino]-2-oxoethyl]-1,3-benzodioxole-5-carboxamide
CID 24550817
4-cyano-N-[(4,5-dimethylthiophen-2-yl)methyl]benzamide
CID 65243956
4-tert-butyl-N-[2-[2-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]ethylamino]-2-oxoethyl]benzamide
CID 42575172

Frequently Asked Questions

What is the IUPAC name of 4-cyano-N-[[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]methyl]benzamide?
The IUPAC name of 4-cyano-N-[[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]methyl]benzamide (CID 8940458) is 4-cyano-N-[[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]methyl]benzamide.
What is the SMILES notation for 4-cyano-N-[[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]methyl]benzamide?
The canonical SMILES for 4-cyano-N-[[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]methyl]benzamide is Cc1nc(-c2ccc(CNC(=O)c3ccc(C#N)cc3)s2)cs1.
What is the InChIKey of 4-cyano-N-[[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]methyl]benzamide?
The InChIKey is CDZYVJZATJJRKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N3OS2/c1-11-20-15(10-22-11)16-7-6-14(23-16)9-19-17(21)13-4-2-12(8-18)3-5-13/h2-7,10H,9H2,1H3,(H,19,21).
What are the key properties of 4-cyano-N-[[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]methyl]benzamide?
4-cyano-N-[[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]methyl]benzamide has a molecular weight of 339.45 g/mol, XLogP of 3.98, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyano-N-[[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]methyl]benzamide is sourced from PubChem (CID 8940458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).