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

C10H13N3S2 — CID 65274547

IUPAC3-ethyl-N-(1-thiophen-3-ylethyl)-1,2,4-thiadiazol-5-amine
SMILESCCc1nsc(NC(C)c2ccsc2)n1
InChIInChI=1S/C10H13N3S2/c1-3-9-12-10(15-13-9)11-7(2)8-4-5-14-6-8/h4-7H,3H2,1-2H3,(H,11,12,13)
InChIKeyQOWTYUQKSCVIPH-UHFFFAOYSA-N
MW239.37 g/mol
LogP3.34
Rot. Bonds4

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

3-ethyl-N-(1-thiophen-3-ylethyl)-1,2,4-thiadiazol-5-amine (PubChem CID 65274547) has the molecular formula C10H13N3S2 and a molecular weight of 239.37 g/mol. Its IUPAC name is 3-ethyl-N-(1-thiophen-3-ylethyl)-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound Name3-ethyl-N-(1-thiophen-3-ylethyl)-1,2,4-thiadiazol-5-amine
PubChem CID65274547
Molecular FormulaC10H13N3S2
Molecular Weight239.37 g/mol
Exact Mass239.06
IUPAC Name3-ethyl-N-(1-thiophen-3-ylethyl)-1,2,4-thiadiazol-5-amine
SMILESCCc1nsc(NC(C)c2ccsc2)n1
InChIInChI=1S/C10H13N3S2/c1-3-9-12-10(15-13-9)11-7(2)8-4-5-14-6-8/h4-7H,3H2,1-2H3,(H,11,12,13)
InChIKeyQOWTYUQKSCVIPH-UHFFFAOYSA-N
XLogP3.34
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.37
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-ethyl-N-(1-thiophen-3-ylethyl)-1,3-thiazol-2-amine
CID 62962097
4-methyl-N-(1-thiophen-3-ylethyl)-1,3-thiazol-2-amine
CID 62842792
N-[1-(1,3-benzodioxol-5-yl)ethyl]-3-ethyl-1,2,4-thiadiazol-5-amine
CID 133369931
(1S)-N-methyl-1-thiophen-3-ylethanamine
CID 92981912
3-propyl-N-(1-thiophen-2-ylethyl)-1,2,4-thiadiazol-5-amine
CID 65271045
3-(2-methoxyethyl)-N-[1-(4-propan-2-ylphenyl)ethyl]-1,2,4-thiadiazol-5-amine
CID 133369815
1-thiophen-3-yl-N-(1-thiophen-3-ylethyl)ethanamine
CID 14249916
3-(methoxymethyl)-N-(1-naphthalen-2-ylethyl)-1,2,4-thiadiazol-5-amine
CID 133352580
N-(1-thiophen-3-ylethyl)aniline
CID 62090283
5-ethyl-6-hydrazinyl-N-(1-thiophen-3-ylethyl)pyrimidin-4-amine
CID 80918531
N-(1-thiophen-3-ylethyl)pyrimidin-5-amine
CID 107588181
3-ethyl-N-(1-thiophen-2-ylbutyl)-1,2,4-thiadiazol-5-amine
CID 65276998

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-N-(1-thiophen-3-ylethyl)-1,2,4-thiadiazol-5-amine?
The IUPAC name of 3-ethyl-N-(1-thiophen-3-ylethyl)-1,2,4-thiadiazol-5-amine (CID 65274547) is 3-ethyl-N-(1-thiophen-3-ylethyl)-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for 3-ethyl-N-(1-thiophen-3-ylethyl)-1,2,4-thiadiazol-5-amine?
The canonical SMILES for 3-ethyl-N-(1-thiophen-3-ylethyl)-1,2,4-thiadiazol-5-amine is CCc1nsc(NC(C)c2ccsc2)n1.
What is the InChIKey of 3-ethyl-N-(1-thiophen-3-ylethyl)-1,2,4-thiadiazol-5-amine?
The InChIKey is QOWTYUQKSCVIPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3S2/c1-3-9-12-10(15-13-9)11-7(2)8-4-5-14-6-8/h4-7H,3H2,1-2H3,(H,11,12,13).
What are the key properties of 3-ethyl-N-(1-thiophen-3-ylethyl)-1,2,4-thiadiazol-5-amine?
3-ethyl-N-(1-thiophen-3-ylethyl)-1,2,4-thiadiazol-5-amine has a molecular weight of 239.37 g/mol, XLogP of 3.34, 4 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-3-ylethyl)-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 65274547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).