N-[1-oxo-1-[3-(1H-1,2,4-triazol-5-yl)propylamino]propan-2-yl]thiophene-2-carboxamide

C13H17N5O2S — CID 64517630

IUPACN-[1-oxo-1-[3-(1H-1,2,4-triazol-5-yl)propylamino]propan-2-yl]thiophene-2-carboxamide
SMILESCC(NC(=O)c1cccs1)C(=O)NCCCc1ncn[nH]1
InChIInChI=1S/C13H17N5O2S/c1-9(17-13(20)10-4-3-7-21-10)12(19)14-6-2-5-11-15-8-16-18-11/h3-4,7-9H,2,5-6H2,1H3,(H,14,19)(H,17,20)(H,15,16,18)
InChIKeyULYFIWCVFRDVIV-UHFFFAOYSA-N
MW307.38 g/mol
LogP0.73
Rot. Bonds7

About N-[1-oxo-1-[3-(1H-1,2,4-triazol-5-yl)propylamino]propan-2-yl]thiophene-2-carboxamide

N-[1-oxo-1-[3-(1H-1,2,4-triazol-5-yl)propylamino]propan-2-yl]thiophene-2-carboxamide (PubChem CID 64517630) has the molecular formula C13H17N5O2S and a molecular weight of 307.38 g/mol. Its IUPAC name is N-[1-oxo-1-[3-(1H-1,2,4-triazol-5-yl)propylamino]propan-2-yl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[1-oxo-1-[3-(1H-1,2,4-triazol-5-yl)propylamino]propan-2-yl]thiophene-2-carboxamide
PubChem CID64517630
Molecular FormulaC13H17N5O2S
Molecular Weight307.38 g/mol
Exact Mass307.11
IUPAC NameN-[1-oxo-1-[3-(1H-1,2,4-triazol-5-yl)propylamino]propan-2-yl]thiophene-2-carboxamide
SMILESCC(NC(=O)c1cccs1)C(=O)NCCCc1ncn[nH]1
InChIInChI=1S/C13H17N5O2S/c1-9(17-13(20)10-4-3-7-21-10)12(19)14-6-2-5-11-15-8-16-18-11/h3-4,7-9H,2,5-6H2,1H3,(H,14,19)(H,17,20)(H,15,16,18)
InChIKeyULYFIWCVFRDVIV-UHFFFAOYSA-N
XLogP0.73
TPSA99.77 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.38
LogP ≤ 50.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2,2-dimethyl-N-[1-oxo-1-[3-(1H-1,2,4-triazol-5-yl)propylamino]propan-2-yl]propanamide
CID 64547456
N-(1H-1,2,4-triazol-5-ylmethyl)thiophene-2-carboxamide
CID 60982202
N-[1-oxo-1-(2-pyridin-2-ylethylamino)propan-2-yl]thiophene-2-carboxamide
CID 51301332
N-[1-[3-(1,3-benzothiazol-2-yl)propylamino]-1-oxopropan-2-yl]thiophene-2-carboxamide
CID 46432293
2,3-dimethyl-N-[3-(1H-1,2,4-triazol-5-yl)propyl]butanamide
CID 64547511
N-[1-oxo-1-(prop-2-ynylamino)propan-2-yl]thiophene-2-carboxamide
CID 51305133
(2S,3S)-2-amino-3-methyl-N-[3-(1H-1,2,4-triazol-5-yl)propyl]pentanamide
CID 64532327
2-[[2-[2-(thiophene-2-carbonylamino)propanoylamino]acetyl]amino]acetic acid
CID 43388110
N-[1-oxo-1-(3-thiophen-2-ylpropylamino)propan-2-yl]carbamate
CID 23047137
2-(thiophen-2-ylmethylsulfanyl)-N-[3-(1H-1,2,4-triazol-5-yl)propyl]acetamide
CID 64519144
N-[1-[[2-(dimethylamino)-2-thiophen-2-ylethyl]amino]-1-oxopropan-2-yl]thiophene-2-carboxamide
CID 46522928
N-[(2S)-1-[3-(1H-benzimidazol-2-yl)propylamino]-3-methyl-1-oxobutan-2-yl]thiophene-2-carboxamide
CID 30360173

Frequently Asked Questions

What is the IUPAC name of N-[1-oxo-1-[3-(1H-1,2,4-triazol-5-yl)propylamino]propan-2-yl]thiophene-2-carboxamide?
The IUPAC name of N-[1-oxo-1-[3-(1H-1,2,4-triazol-5-yl)propylamino]propan-2-yl]thiophene-2-carboxamide (CID 64517630) is N-[1-oxo-1-[3-(1H-1,2,4-triazol-5-yl)propylamino]propan-2-yl]thiophene-2-carboxamide.
What is the SMILES notation for N-[1-oxo-1-[3-(1H-1,2,4-triazol-5-yl)propylamino]propan-2-yl]thiophene-2-carboxamide?
The canonical SMILES for N-[1-oxo-1-[3-(1H-1,2,4-triazol-5-yl)propylamino]propan-2-yl]thiophene-2-carboxamide is CC(NC(=O)c1cccs1)C(=O)NCCCc1ncn[nH]1.
What is the InChIKey of N-[1-oxo-1-[3-(1H-1,2,4-triazol-5-yl)propylamino]propan-2-yl]thiophene-2-carboxamide?
The InChIKey is ULYFIWCVFRDVIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5O2S/c1-9(17-13(20)10-4-3-7-21-10)12(19)14-6-2-5-11-15-8-16-18-11/h3-4,7-9H,2,5-6H2,1H3,(H,14,19)(H,17,20)(H,15,16,18).
What are the key properties of N-[1-oxo-1-[3-(1H-1,2,4-triazol-5-yl)propylamino]propan-2-yl]thiophene-2-carboxamide?
N-[1-oxo-1-[3-(1H-1,2,4-triazol-5-yl)propylamino]propan-2-yl]thiophene-2-carboxamide has a molecular weight of 307.38 g/mol, XLogP of 0.73, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-oxo-1-[3-(1H-1,2,4-triazol-5-yl)propylamino]propan-2-yl]thiophene-2-carboxamide is sourced from PubChem (CID 64517630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).