3-methyl-N-[3-(1H-1,2,4-triazol-5-yl)propyl]thiophene-2-carboxamide

C11H14N4OS — CID 64518007

IUPAC3-methyl-N-[3-(1H-1,2,4-triazol-5-yl)propyl]thiophene-2-carboxamide
SMILESCc1ccsc1C(=O)NCCCc1ncn[nH]1
InChIInChI=1S/C11H14N4OS/c1-8-4-6-17-10(8)11(16)12-5-2-3-9-13-7-14-15-9/h4,6-7H,2-3,5H2,1H3,(H,12,16)(H,13,14,15)
InChIKeyFDNXYTRMAVLDRG-UHFFFAOYSA-N
MW250.33 g/mol
LogP1.54
Rot. Bonds5

About 3-methyl-N-[3-(1H-1,2,4-triazol-5-yl)propyl]thiophene-2-carboxamide

3-methyl-N-[3-(1H-1,2,4-triazol-5-yl)propyl]thiophene-2-carboxamide (PubChem CID 64518007) has the molecular formula C11H14N4OS and a molecular weight of 250.33 g/mol. Its IUPAC name is 3-methyl-N-[3-(1H-1,2,4-triazol-5-yl)propyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name3-methyl-N-[3-(1H-1,2,4-triazol-5-yl)propyl]thiophene-2-carboxamide
PubChem CID64518007
Molecular FormulaC11H14N4OS
Molecular Weight250.33 g/mol
Exact Mass250.09
IUPAC Name3-methyl-N-[3-(1H-1,2,4-triazol-5-yl)propyl]thiophene-2-carboxamide
SMILESCc1ccsc1C(=O)NCCCc1ncn[nH]1
InChIInChI=1S/C11H14N4OS/c1-8-4-6-17-10(8)11(16)12-5-2-3-9-13-7-14-15-9/h4,6-7H,2-3,5H2,1H3,(H,12,16)(H,13,14,15)
InChIKeyFDNXYTRMAVLDRG-UHFFFAOYSA-N
XLogP1.54
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.33
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-methyl-N-[3-(1H-1,2,4-triazol-5-yl)propyl]-1,3-thiazole-5-carboxamide
CID 64546330
5-chloro-2-methyl-N-[3-(1H-1,2,4-triazol-5-yl)propyl]benzamide
CID 115532376
2-amino-3-methyl-N-[3-(1H-1,2,4-triazol-5-yl)propyl]benzamide
CID 64518360
N-[(3-methylthiophen-2-yl)methyl]-3-(1H-1,2,4-triazol-5-yl)propan-1-amine
CID 64518387
4-methyl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]-1,3-thiazole-5-carboxamide
CID 64532387
2-(4-methylphenyl)-N-[3-(1H-1,2,4-triazol-5-yl)propyl]acetamide
CID 64548489
3-methyl-N-(1H-1,2,4-triazol-5-yl)thiophene-2-carboxamide
CID 4318610
2-chloro-4-methyl-N-[3-(1H-1,2,4-triazol-5-yl)propyl]benzamide
CID 106491058
3-amino-2-methyl-N-[3-(1H-1,2,4-triazol-5-yl)propyl]benzamide
CID 64518359
N-[3-(ethylamino)propyl]-3-methylthiophene-2-carboxamide
CID 43601705
N-(5-iodopentyl)-3-methylthiophene-2-carboxamide
CID 107322386
2-(2,6-dimethylphenoxy)-N-[3-(1H-1,2,4-triazol-5-yl)propyl]acetamide
CID 64547070

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[3-(1H-1,2,4-triazol-5-yl)propyl]thiophene-2-carboxamide?
The IUPAC name of 3-methyl-N-[3-(1H-1,2,4-triazol-5-yl)propyl]thiophene-2-carboxamide (CID 64518007) is 3-methyl-N-[3-(1H-1,2,4-triazol-5-yl)propyl]thiophene-2-carboxamide.
What is the SMILES notation for 3-methyl-N-[3-(1H-1,2,4-triazol-5-yl)propyl]thiophene-2-carboxamide?
The canonical SMILES for 3-methyl-N-[3-(1H-1,2,4-triazol-5-yl)propyl]thiophene-2-carboxamide is Cc1ccsc1C(=O)NCCCc1ncn[nH]1.
What is the InChIKey of 3-methyl-N-[3-(1H-1,2,4-triazol-5-yl)propyl]thiophene-2-carboxamide?
The InChIKey is FDNXYTRMAVLDRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4OS/c1-8-4-6-17-10(8)11(16)12-5-2-3-9-13-7-14-15-9/h4,6-7H,2-3,5H2,1H3,(H,12,16)(H,13,14,15).
What are the key properties of 3-methyl-N-[3-(1H-1,2,4-triazol-5-yl)propyl]thiophene-2-carboxamide?
3-methyl-N-[3-(1H-1,2,4-triazol-5-yl)propyl]thiophene-2-carboxamide has a molecular weight of 250.33 g/mol, XLogP of 1.54, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[3-(1H-1,2,4-triazol-5-yl)propyl]thiophene-2-carboxamide is sourced from PubChem (CID 64518007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).