N-cyano-2-thiophen-2-yl-1,3-thiazole-4-carboxamide

C9H5N3OS2 — CID 79195159

IUPACN-cyano-2-thiophen-2-yl-1,3-thiazole-4-carboxamide
SMILESN#CNC(=O)c1csc(-c2cccs2)n1
InChIInChI=1S/C9H5N3OS2/c10-5-11-8(13)6-4-15-9(12-6)7-2-1-3-14-7/h1-4H,(H,11,13)
InChIKeyGCRCOGJJPJLDKS-UHFFFAOYSA-N
MW235.29 g/mol
LogP2.08
Rot. Bonds2

About N-cyano-2-thiophen-2-yl-1,3-thiazole-4-carboxamide

N-cyano-2-thiophen-2-yl-1,3-thiazole-4-carboxamide (PubChem CID 79195159) has the molecular formula C9H5N3OS2 and a molecular weight of 235.29 g/mol. Its IUPAC name is N-cyano-2-thiophen-2-yl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-cyano-2-thiophen-2-yl-1,3-thiazole-4-carboxamide
PubChem CID79195159
Molecular FormulaC9H5N3OS2
Molecular Weight235.29 g/mol
Exact Mass234.99
IUPAC NameN-cyano-2-thiophen-2-yl-1,3-thiazole-4-carboxamide
SMILESN#CNC(=O)c1csc(-c2cccs2)n1
InChIInChI=1S/C9H5N3OS2/c10-5-11-8(13)6-4-15-9(12-6)7-2-1-3-14-7/h1-4H,(H,11,13)
InChIKeyGCRCOGJJPJLDKS-UHFFFAOYSA-N
XLogP2.08
TPSA65.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}, {'alert_name': 'enamine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-cyano-2-thiophen-2-yl-1,3-thiazole-4-carboxamide?
The IUPAC name of N-cyano-2-thiophen-2-yl-1,3-thiazole-4-carboxamide (CID 79195159) is N-cyano-2-thiophen-2-yl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-cyano-2-thiophen-2-yl-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-cyano-2-thiophen-2-yl-1,3-thiazole-4-carboxamide is N#CNC(=O)c1csc(-c2cccs2)n1.
What is the InChIKey of N-cyano-2-thiophen-2-yl-1,3-thiazole-4-carboxamide?
The InChIKey is GCRCOGJJPJLDKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5N3OS2/c10-5-11-8(13)6-4-15-9(12-6)7-2-1-3-14-7/h1-4H,(H,11,13).
What are the key properties of N-cyano-2-thiophen-2-yl-1,3-thiazole-4-carboxamide?
N-cyano-2-thiophen-2-yl-1,3-thiazole-4-carboxamide has a molecular weight of 235.29 g/mol, XLogP of 2.08, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyano-2-thiophen-2-yl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 79195159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).