4-thiophen-2-yl-N-(1H-1,2,4-triazol-5-yl)butanamide

C10H12N4OS — CID 30866887

IUPAC4-thiophen-2-yl-N-(1H-1,2,4-triazol-5-yl)butanamide
SMILESO=C(CCCc1cccs1)Nc1ncn[nH]1
InChIInChI=1S/C10H12N4OS/c15-9(13-10-11-7-12-14-10)5-1-3-8-4-2-6-16-8/h2,4,6-7H,1,3,5H2,(H2,11,12,13,14,15)
InChIKeyDUGKSFXCUGZQBQ-UHFFFAOYSA-N
MW236.30 g/mol
LogP1.83
Rot. Bonds5

About 4-thiophen-2-yl-N-(1H-1,2,4-triazol-5-yl)butanamide

4-thiophen-2-yl-N-(1H-1,2,4-triazol-5-yl)butanamide (PubChem CID 30866887) has the molecular formula C10H12N4OS and a molecular weight of 236.30 g/mol. Its IUPAC name is 4-thiophen-2-yl-N-(1H-1,2,4-triazol-5-yl)butanamide.

Molecular Properties

Compound Name4-thiophen-2-yl-N-(1H-1,2,4-triazol-5-yl)butanamide
PubChem CID30866887
Molecular FormulaC10H12N4OS
Molecular Weight236.30 g/mol
Exact Mass236.07
IUPAC Name4-thiophen-2-yl-N-(1H-1,2,4-triazol-5-yl)butanamide
SMILESO=C(CCCc1cccs1)Nc1ncn[nH]1
InChIInChI=1S/C10H12N4OS/c15-9(13-10-11-7-12-14-10)5-1-3-8-4-2-6-16-8/h2,4,6-7H,1,3,5H2,(H2,11,12,13,14,15)
InChIKeyDUGKSFXCUGZQBQ-UHFFFAOYSA-N
XLogP1.83
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.30
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-N-(1H-1,2,4-triazol-5-yl)pentanamide
CID 63665630
4-thiophen-2-yl-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]butanamide
CID 43051639
N-(1H-1,2,4-triazol-5-yl)butanamide
CID 5020131
N-(2-iodophenyl)-4-thiophen-2-ylbutanamide
CID 26087634
N-(5-methyl-1,3,4-thiadiazol-2-yl)-4-thiophen-2-ylbutanamide
CID 18079690
N-[(5S)-5-methyl-4,5-dihydro-1,2-oxazol-3-yl]-4-thiophen-2-ylbutanamide
CID 125136014
N-methyl-2-(4-thiophen-2-ylbutanoylamino)benzamide
CID 39969290
N-(5-amino-4-methyl-2-pyridinyl)-4-thiophen-2-ylbutanamide
CID 61293337
3-(5-phenyl-1,3,4-oxadiazol-2-yl)-N-(1H-1,2,4-triazol-5-yl)propanamide
CID 30865201
4-(thiophen-2-ylmethylsulfamoyl)-N-(1H-1,2,4-triazol-5-yl)benzamide
CID 47082947
N-(3-chlorophenyl)-4-thiophen-2-ylbutanamide
CID 4820268
N-[4-(2-methylpropanoylamino)phenyl]-4-thiophen-2-ylbutanamide
CID 26907103

Frequently Asked Questions

What is the IUPAC name of 4-thiophen-2-yl-N-(1H-1,2,4-triazol-5-yl)butanamide?
The IUPAC name of 4-thiophen-2-yl-N-(1H-1,2,4-triazol-5-yl)butanamide (CID 30866887) is 4-thiophen-2-yl-N-(1H-1,2,4-triazol-5-yl)butanamide.
What is the SMILES notation for 4-thiophen-2-yl-N-(1H-1,2,4-triazol-5-yl)butanamide?
The canonical SMILES for 4-thiophen-2-yl-N-(1H-1,2,4-triazol-5-yl)butanamide is O=C(CCCc1cccs1)Nc1ncn[nH]1.
What is the InChIKey of 4-thiophen-2-yl-N-(1H-1,2,4-triazol-5-yl)butanamide?
The InChIKey is DUGKSFXCUGZQBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4OS/c15-9(13-10-11-7-12-14-10)5-1-3-8-4-2-6-16-8/h2,4,6-7H,1,3,5H2,(H2,11,12,13,14,15).
What are the key properties of 4-thiophen-2-yl-N-(1H-1,2,4-triazol-5-yl)butanamide?
4-thiophen-2-yl-N-(1H-1,2,4-triazol-5-yl)butanamide has a molecular weight of 236.30 g/mol, XLogP of 1.83, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-thiophen-2-yl-N-(1H-1,2,4-triazol-5-yl)butanamide is sourced from PubChem (CID 30866887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).