2-[[2-[4-(hydroxymethyl)triazol-1-yl]acetyl]amino]thiophene-3-carboxamide

C10H11N5O3S — CID 62399970

IUPAC2-[[2-[4-(hydroxymethyl)triazol-1-yl]acetyl]amino]thiophene-3-carboxamide
SMILESNC(=O)c1ccsc1NC(=O)Cn1cc(CO)nn1
InChIInChI=1S/C10H11N5O3S/c11-9(18)7-1-2-19-10(7)12-8(17)4-15-3-6(5-16)13-14-15/h1-3,16H,4-5H2,(H2,11,18)(H,12,17)
InChIKeyYSDLPTOVMPIWLA-UHFFFAOYSA-N
MW281.30 g/mol
LogP-0.43
Rot. Bonds5

About 2-[[2-[4-(hydroxymethyl)triazol-1-yl]acetyl]amino]thiophene-3-carboxamide

2-[[2-[4-(hydroxymethyl)triazol-1-yl]acetyl]amino]thiophene-3-carboxamide (PubChem CID 62399970) has the molecular formula C10H11N5O3S and a molecular weight of 281.30 g/mol. Its IUPAC name is 2-[[2-[4-(hydroxymethyl)triazol-1-yl]acetyl]amino]thiophene-3-carboxamide.

Molecular Properties

Compound Name2-[[2-[4-(hydroxymethyl)triazol-1-yl]acetyl]amino]thiophene-3-carboxamide
PubChem CID62399970
Molecular FormulaC10H11N5O3S
Molecular Weight281.30 g/mol
Exact Mass281.06
IUPAC Name2-[[2-[4-(hydroxymethyl)triazol-1-yl]acetyl]amino]thiophene-3-carboxamide
SMILESNC(=O)c1ccsc1NC(=O)Cn1cc(CO)nn1
InChIInChI=1S/C10H11N5O3S/c11-9(18)7-1-2-19-10(7)12-8(17)4-15-3-6(5-16)13-14-15/h1-3,16H,4-5H2,(H2,11,18)(H,12,17)
InChIKeyYSDLPTOVMPIWLA-UHFFFAOYSA-N
XLogP-0.43
TPSA123.13 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.30
LogP ≤ 5-0.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 2-[[2-[4-(hydroxymethyl)triazol-1-yl]acetyl]amino]thiophene-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[4-(hydroxymethyl)triazol-1-yl]acetyl]amino]thiophene-3-carboxamide?
The IUPAC name of 2-[[2-[4-(hydroxymethyl)triazol-1-yl]acetyl]amino]thiophene-3-carboxamide (CID 62399970) is 2-[[2-[4-(hydroxymethyl)triazol-1-yl]acetyl]amino]thiophene-3-carboxamide.
What is the SMILES notation for 2-[[2-[4-(hydroxymethyl)triazol-1-yl]acetyl]amino]thiophene-3-carboxamide?
The canonical SMILES for 2-[[2-[4-(hydroxymethyl)triazol-1-yl]acetyl]amino]thiophene-3-carboxamide is NC(=O)c1ccsc1NC(=O)Cn1cc(CO)nn1.
What is the InChIKey of 2-[[2-[4-(hydroxymethyl)triazol-1-yl]acetyl]amino]thiophene-3-carboxamide?
The InChIKey is YSDLPTOVMPIWLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N5O3S/c11-9(18)7-1-2-19-10(7)12-8(17)4-15-3-6(5-16)13-14-15/h1-3,16H,4-5H2,(H2,11,18)(H,12,17).
What are the key properties of 2-[[2-[4-(hydroxymethyl)triazol-1-yl]acetyl]amino]thiophene-3-carboxamide?
2-[[2-[4-(hydroxymethyl)triazol-1-yl]acetyl]amino]thiophene-3-carboxamide has a molecular weight of 281.30 g/mol, XLogP of -0.43, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[4-(hydroxymethyl)triazol-1-yl]acetyl]amino]thiophene-3-carboxamide is sourced from PubChem (CID 62399970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).