3-ethyl-N-(1-thiophen-2-ylbutyl)-1,2,4-thiadiazol-5-amine

C12H17N3S2 — CID 65276998

IUPAC3-ethyl-N-(1-thiophen-2-ylbutyl)-1,2,4-thiadiazol-5-amine
SMILESCCCC(Nc1nc(CC)ns1)c1cccs1
InChIInChI=1S/C12H17N3S2/c1-3-6-9(10-7-5-8-16-10)13-12-14-11(4-2)15-17-12/h5,7-9H,3-4,6H2,1-2H3,(H,13,14,15)
InChIKeySLOKLUTWYRYITM-UHFFFAOYSA-N
MW267.42 g/mol
LogP4.12
Rot. Bonds6

About 3-ethyl-N-(1-thiophen-2-ylbutyl)-1,2,4-thiadiazol-5-amine

3-ethyl-N-(1-thiophen-2-ylbutyl)-1,2,4-thiadiazol-5-amine (PubChem CID 65276998) has the molecular formula C12H17N3S2 and a molecular weight of 267.42 g/mol. Its IUPAC name is 3-ethyl-N-(1-thiophen-2-ylbutyl)-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound Name3-ethyl-N-(1-thiophen-2-ylbutyl)-1,2,4-thiadiazol-5-amine
PubChem CID65276998
Molecular FormulaC12H17N3S2
Molecular Weight267.42 g/mol
Exact Mass267.09
IUPAC Name3-ethyl-N-(1-thiophen-2-ylbutyl)-1,2,4-thiadiazol-5-amine
SMILESCCCC(Nc1nc(CC)ns1)c1cccs1
InChIInChI=1S/C12H17N3S2/c1-3-6-9(10-7-5-8-16-10)13-12-14-11(4-2)15-17-12/h5,7-9H,3-4,6H2,1-2H3,(H,13,14,15)
InChIKeySLOKLUTWYRYITM-UHFFFAOYSA-N
XLogP4.12
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.42
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-propan-2-yl-N-(1-thiophen-2-ylbutyl)-1,2,4-thiadiazol-5-amine
CID 65276944
4-ethyl-N-(1-thiophen-2-ylbutyl)-1,3-thiazol-2-amine
CID 62961002
3-propyl-N-(1-thiophen-2-ylethyl)-1,2,4-thiadiazol-5-amine
CID 65271045
5,6-diethyl-N-(1-thiophen-2-ylbutyl)-1,2,4-triazin-3-amine
CID 105362540
3-phenyl-N-(1-thiophen-2-ylpropyl)-1,2,4-thiadiazol-5-amine
CID 133485617
6-methyl-N-(1-thiophen-2-ylbutyl)pyridin-2-amine
CID 54962999
2-N-ethyl-6-N-(1-thiophen-2-ylbutyl)pyridine-2,6-diamine
CID 80807390
N-[(1S)-1-thiophen-2-ylbutyl]hydroxylamine
CID 131230047
6-bromo-N-(1-thiophen-2-ylbutyl)-1,3-benzothiazol-2-amine
CID 79528939
4-ethoxy-5-N-(1-thiophen-2-ylbutyl)-1,2-thiazole-3,5-diamine
CID 103360094
2-N-methyl-4-N-(1-thiophen-2-ylbutyl)pyridine-2,4-diamine
CID 113367648
N-(2-fluoroethyl)-1-thiophen-2-ylbutan-1-amine
CID 80695322

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-N-(1-thiophen-2-ylbutyl)-1,2,4-thiadiazol-5-amine?
The IUPAC name of 3-ethyl-N-(1-thiophen-2-ylbutyl)-1,2,4-thiadiazol-5-amine (CID 65276998) is 3-ethyl-N-(1-thiophen-2-ylbutyl)-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for 3-ethyl-N-(1-thiophen-2-ylbutyl)-1,2,4-thiadiazol-5-amine?
The canonical SMILES for 3-ethyl-N-(1-thiophen-2-ylbutyl)-1,2,4-thiadiazol-5-amine is CCCC(Nc1nc(CC)ns1)c1cccs1.
What is the InChIKey of 3-ethyl-N-(1-thiophen-2-ylbutyl)-1,2,4-thiadiazol-5-amine?
The InChIKey is SLOKLUTWYRYITM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3S2/c1-3-6-9(10-7-5-8-16-10)13-12-14-11(4-2)15-17-12/h5,7-9H,3-4,6H2,1-2H3,(H,13,14,15).
What are the key properties of 3-ethyl-N-(1-thiophen-2-ylbutyl)-1,2,4-thiadiazol-5-amine?
3-ethyl-N-(1-thiophen-2-ylbutyl)-1,2,4-thiadiazol-5-amine has a molecular weight of 267.42 g/mol, XLogP of 4.12, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-N-(1-thiophen-2-ylbutyl)-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 65276998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).