N-(1H-1,2,4-triazol-5-ylmethyl)thiophene-2-carboxamide

C8H8N4OS — CID 60982202

IUPACN-(1H-1,2,4-triazol-5-ylmethyl)thiophene-2-carboxamide
SMILESO=C(NCc1ncn[nH]1)c1cccs1
InChIInChI=1S/C8H8N4OS/c13-8(6-2-1-3-14-6)9-4-7-10-5-11-12-7/h1-3,5H,4H2,(H,9,13)(H,10,11,12)
InChIKeyHWIIXXKZDFZGIR-UHFFFAOYSA-N
MW208.25 g/mol
LogP0.80
Rot. Bonds3

About N-(1H-1,2,4-triazol-5-ylmethyl)thiophene-2-carboxamide

N-(1H-1,2,4-triazol-5-ylmethyl)thiophene-2-carboxamide (PubChem CID 60982202) has the molecular formula C8H8N4OS and a molecular weight of 208.25 g/mol. Its IUPAC name is N-(1H-1,2,4-triazol-5-ylmethyl)thiophene-2-carboxamide.

Molecular Properties

Compound NameN-(1H-1,2,4-triazol-5-ylmethyl)thiophene-2-carboxamide
PubChem CID60982202
Molecular FormulaC8H8N4OS
Molecular Weight208.25 g/mol
Exact Mass208.04
IUPAC NameN-(1H-1,2,4-triazol-5-ylmethyl)thiophene-2-carboxamide
SMILESO=C(NCc1ncn[nH]1)c1cccs1
InChIInChI=1S/C8H8N4OS/c13-8(6-2-1-3-14-6)9-4-7-10-5-11-12-7/h1-3,5H,4H2,(H,9,13)(H,10,11,12)
InChIKeyHWIIXXKZDFZGIR-UHFFFAOYSA-N
XLogP0.80
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.25
LogP ≤ 50.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(thiophen-2-ylmethylsulfanyl)-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide
CID 54885294
N-[1-oxo-1-[3-(1H-1,2,4-triazol-5-yl)propylamino]propan-2-yl]thiophene-2-carboxamide
CID 64517630
3-hydroxy-N-(1H-1,2,4-triazol-5-ylmethyl)pyridine-2-carboxamide
CID 60982075
3-iodo-N-(1H-1,2,4-triazol-5-ylmethyl)benzamide
CID 60983434
N-(1H-benzimidazol-2-ylmethyl)thiophene-2-carboxamide
CID 751095
N-benzylthiophene-2-carboxamide
CID 574227
N-[(2-hydroxyphenyl)methyl]thiophene-2-carboxamide
CID 25105717
N-(1H-pyrrol-2-ylmethyl)thiophene-2-carboxamide
CID 71684218
3-(3-aminoprop-1-ynyl)-N-(1H-1,2,4-triazol-5-ylmethyl)thiophene-2-carboxamide
CID 64524354
N-(1H-1,2,4-triazol-5-ylmethyl)-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-2-carboxamide
CID 60981852
2-(4-hydroxyphenyl)-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide
CID 54883244
2-bromo-3-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)benzamide
CID 103854320

Frequently Asked Questions

What is the IUPAC name of N-(1H-1,2,4-triazol-5-ylmethyl)thiophene-2-carboxamide?
The IUPAC name of N-(1H-1,2,4-triazol-5-ylmethyl)thiophene-2-carboxamide (CID 60982202) is N-(1H-1,2,4-triazol-5-ylmethyl)thiophene-2-carboxamide.
What is the SMILES notation for N-(1H-1,2,4-triazol-5-ylmethyl)thiophene-2-carboxamide?
The canonical SMILES for N-(1H-1,2,4-triazol-5-ylmethyl)thiophene-2-carboxamide is O=C(NCc1ncn[nH]1)c1cccs1.
What is the InChIKey of N-(1H-1,2,4-triazol-5-ylmethyl)thiophene-2-carboxamide?
The InChIKey is HWIIXXKZDFZGIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N4OS/c13-8(6-2-1-3-14-6)9-4-7-10-5-11-12-7/h1-3,5H,4H2,(H,9,13)(H,10,11,12).
What are the key properties of N-(1H-1,2,4-triazol-5-ylmethyl)thiophene-2-carboxamide?
N-(1H-1,2,4-triazol-5-ylmethyl)thiophene-2-carboxamide has a molecular weight of 208.25 g/mol, XLogP of 0.80, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-1,2,4-triazol-5-ylmethyl)thiophene-2-carboxamide is sourced from PubChem (CID 60982202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).