N-[4-(1H-1,2,4-triazol-5-ylsulfanyl)phenyl]thiophene-2-carboxamide

C13H10N4OS2 — CID 60779860

IUPACN-[4-(1H-1,2,4-triazol-5-ylsulfanyl)phenyl]thiophene-2-carboxamide
SMILESO=C(Nc1ccc(Sc2ncn[nH]2)cc1)c1cccs1
InChIInChI=1S/C13H10N4OS2/c18-12(11-2-1-7-19-11)16-9-3-5-10(6-4-9)20-13-14-8-15-17-13/h1-8H,(H,16,18)(H,14,15,17)
InChIKeyTURJPWNYYRNKHH-UHFFFAOYSA-N
MW302.38 g/mol
LogP3.27
Rot. Bonds4

About N-[4-(1H-1,2,4-triazol-5-ylsulfanyl)phenyl]thiophene-2-carboxamide

N-[4-(1H-1,2,4-triazol-5-ylsulfanyl)phenyl]thiophene-2-carboxamide (PubChem CID 60779860) has the molecular formula C13H10N4OS2 and a molecular weight of 302.38 g/mol. Its IUPAC name is N-[4-(1H-1,2,4-triazol-5-ylsulfanyl)phenyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[4-(1H-1,2,4-triazol-5-ylsulfanyl)phenyl]thiophene-2-carboxamide
PubChem CID60779860
Molecular FormulaC13H10N4OS2
Molecular Weight302.38 g/mol
Exact Mass302.03
IUPAC NameN-[4-(1H-1,2,4-triazol-5-ylsulfanyl)phenyl]thiophene-2-carboxamide
SMILESO=C(Nc1ccc(Sc2ncn[nH]2)cc1)c1cccs1
InChIInChI=1S/C13H10N4OS2/c18-12(11-2-1-7-19-11)16-9-3-5-10(6-4-9)20-13-14-8-15-17-13/h1-8H,(H,16,18)(H,14,15,17)
InChIKeyTURJPWNYYRNKHH-UHFFFAOYSA-N
XLogP3.27
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.38
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-methoxy-N-[4-(1H-1,2,4-triazol-5-ylsulfanyl)phenyl]propanamide
CID 115588518
3-bromo-N-[4-(1H-1,2,4-triazol-5-ylsulfanyl)phenyl]propanamide
CID 113385200
N-[4-[4-(thiophene-2-carbonylamino)anilino]phenyl]thiophene-2-carboxamide
CID 67687159
(2R)-2-amino-3,3-dimethyl-N-[4-(1H-1,2,4-triazol-5-ylsulfanyl)phenyl]butanamide
CID 103928924
N-(4-sulfanylphenyl)thiophene-2-carboxamide
CID 27126639
N-[4-[1-oxo-1-(1,3-thiazol-2-ylamino)propan-2-yl]sulfanylphenyl]thiophene-2-carboxamide
CID 19630089
2-(1-aminocyclobutyl)-N-[4-(1H-1,2,4-triazol-5-ylsulfanyl)phenyl]acetamide
CID 79843560
4-(thiophene-2-carbonylamino)benzenesulfonyl chloride
CID 15384313
5-thiophen-2-ylsulfanyl-1H-1,2,4-triazole
CID 141130779
N-(1H-1,2,4-triazol-5-ylmethyl)thiophene-2-carboxamide
CID 60982202
N-[4-(cyclohexylamino)phenyl]thiophene-2-carboxamide
CID 112980718
(2S)-N-[4-(1H-1,2,4-triazol-5-ylsulfanyl)phenyl]piperidine-2-carboxamide
CID 104913128

Frequently Asked Questions

What is the IUPAC name of N-[4-(1H-1,2,4-triazol-5-ylsulfanyl)phenyl]thiophene-2-carboxamide?
The IUPAC name of N-[4-(1H-1,2,4-triazol-5-ylsulfanyl)phenyl]thiophene-2-carboxamide (CID 60779860) is N-[4-(1H-1,2,4-triazol-5-ylsulfanyl)phenyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[4-(1H-1,2,4-triazol-5-ylsulfanyl)phenyl]thiophene-2-carboxamide?
The canonical SMILES for N-[4-(1H-1,2,4-triazol-5-ylsulfanyl)phenyl]thiophene-2-carboxamide is O=C(Nc1ccc(Sc2ncn[nH]2)cc1)c1cccs1.
What is the InChIKey of N-[4-(1H-1,2,4-triazol-5-ylsulfanyl)phenyl]thiophene-2-carboxamide?
The InChIKey is TURJPWNYYRNKHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N4OS2/c18-12(11-2-1-7-19-11)16-9-3-5-10(6-4-9)20-13-14-8-15-17-13/h1-8H,(H,16,18)(H,14,15,17).
What are the key properties of N-[4-(1H-1,2,4-triazol-5-ylsulfanyl)phenyl]thiophene-2-carboxamide?
N-[4-(1H-1,2,4-triazol-5-ylsulfanyl)phenyl]thiophene-2-carboxamide has a molecular weight of 302.38 g/mol, XLogP of 3.27, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1H-1,2,4-triazol-5-ylsulfanyl)phenyl]thiophene-2-carboxamide is sourced from PubChem (CID 60779860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).