5-chloro-N-(2H-triazol-4-ylmethyl)thiophene-2-carboxamide

C8H7ClN4OS — CID 143722954

IUPAC5-chloro-N-(2H-triazol-4-ylmethyl)thiophene-2-carboxamide
SMILESO=C(NCc1cn[nH]n1)c1ccc(Cl)s1
InChIInChI=1S/C8H7ClN4OS/c9-7-2-1-6(15-7)8(14)10-3-5-4-11-13-12-5/h1-2,4H,3H2,(H,10,14)(H,11,12,13)
InChIKeyIDBRSFISOPGERO-UHFFFAOYSA-N
MW242.69 g/mol
LogP1.45
Rot. Bonds3

About 5-chloro-N-(2H-triazol-4-ylmethyl)thiophene-2-carboxamide

5-chloro-N-(2H-triazol-4-ylmethyl)thiophene-2-carboxamide (PubChem CID 143722954) has the molecular formula C8H7ClN4OS and a molecular weight of 242.69 g/mol. Its IUPAC name is 5-chloro-N-(2H-triazol-4-ylmethyl)thiophene-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-(2H-triazol-4-ylmethyl)thiophene-2-carboxamide
PubChem CID143722954
Molecular FormulaC8H7ClN4OS
Molecular Weight242.69 g/mol
Exact Mass242.00
IUPAC Name5-chloro-N-(2H-triazol-4-ylmethyl)thiophene-2-carboxamide
SMILESO=C(NCc1cn[nH]n1)c1ccc(Cl)s1
InChIInChI=1S/C8H7ClN4OS/c9-7-2-1-6(15-7)8(14)10-3-5-4-11-13-12-5/h1-2,4H,3H2,(H,10,14)(H,11,12,13)
InChIKeyIDBRSFISOPGERO-UHFFFAOYSA-N
XLogP1.45
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.69
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(2H-triazol-4-ylmethyl)thiophene-2-carboxamide?
The IUPAC name of 5-chloro-N-(2H-triazol-4-ylmethyl)thiophene-2-carboxamide (CID 143722954) is 5-chloro-N-(2H-triazol-4-ylmethyl)thiophene-2-carboxamide.
What is the SMILES notation for 5-chloro-N-(2H-triazol-4-ylmethyl)thiophene-2-carboxamide?
The canonical SMILES for 5-chloro-N-(2H-triazol-4-ylmethyl)thiophene-2-carboxamide is O=C(NCc1cn[nH]n1)c1ccc(Cl)s1.
What is the InChIKey of 5-chloro-N-(2H-triazol-4-ylmethyl)thiophene-2-carboxamide?
The InChIKey is IDBRSFISOPGERO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7ClN4OS/c9-7-2-1-6(15-7)8(14)10-3-5-4-11-13-12-5/h1-2,4H,3H2,(H,10,14)(H,11,12,13).
What are the key properties of 5-chloro-N-(2H-triazol-4-ylmethyl)thiophene-2-carboxamide?
5-chloro-N-(2H-triazol-4-ylmethyl)thiophene-2-carboxamide has a molecular weight of 242.69 g/mol, XLogP of 1.45, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(2H-triazol-4-ylmethyl)thiophene-2-carboxamide is sourced from PubChem (CID 143722954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).