3-phenyl-N-(1-thiophen-2-ylpropyl)-1,2,4-thiadiazol-5-amine

C15H15N3S2 — CID 133485617

IUPAC3-phenyl-N-(1-thiophen-2-ylpropyl)-1,2,4-thiadiazol-5-amine
SMILESCCC(Nc1nc(-c2ccccc2)ns1)c1cccs1
InChIInChI=1S/C15H15N3S2/c1-2-12(13-9-6-10-19-13)16-15-17-14(18-20-15)11-7-4-3-5-8-11/h3-10,12H,2H2,1H3,(H,16,17,18)
InChIKeyKWVWVHMIUWXZNE-UHFFFAOYSA-N
MW301.44 g/mol
LogP4.83
Rot. Bonds5

About 3-phenyl-N-(1-thiophen-2-ylpropyl)-1,2,4-thiadiazol-5-amine

3-phenyl-N-(1-thiophen-2-ylpropyl)-1,2,4-thiadiazol-5-amine (PubChem CID 133485617) has the molecular formula C15H15N3S2 and a molecular weight of 301.44 g/mol. Its IUPAC name is 3-phenyl-N-(1-thiophen-2-ylpropyl)-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound Name3-phenyl-N-(1-thiophen-2-ylpropyl)-1,2,4-thiadiazol-5-amine
PubChem CID133485617
Molecular FormulaC15H15N3S2
Molecular Weight301.44 g/mol
Exact Mass301.07
IUPAC Name3-phenyl-N-(1-thiophen-2-ylpropyl)-1,2,4-thiadiazol-5-amine
SMILESCCC(Nc1nc(-c2ccccc2)ns1)c1cccs1
InChIInChI=1S/C15H15N3S2/c1-2-12(13-9-6-10-19-13)16-15-17-14(18-20-15)11-7-4-3-5-8-11/h3-10,12H,2H2,1H3,(H,16,17,18)
InChIKeyKWVWVHMIUWXZNE-UHFFFAOYSA-N
XLogP4.83
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.44
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-ethyl-N-(1-thiophen-2-ylbutyl)-1,2,4-thiadiazol-5-amine
CID 65276998
3-propan-2-yl-N-(1-thiophen-2-ylbutyl)-1,2,4-thiadiazol-5-amine
CID 65276944
4-chloro-2-(1-thiophen-2-ylpropylamino)-1,3-thiazole-5-carbonitrile
CID 106595404
N-(3-phenyl-1,2,4-thiadiazol-5-yl)thiophene-2-carboxamide
CID 972595
3-(5-methyl-1H-1,2,4-triazol-3-yl)-N-(1-thiophen-2-ylpropyl)aniline
CID 60936007
6-chloro-N-(1-thiophen-2-ylpropyl)-1,3-benzothiazol-2-amine
CID 79525588
4-ethyl-N-(1-thiophen-2-ylbutyl)-1,3-thiazol-2-amine
CID 62961002
2-methyl-N-(3-phenyl-1,2,4-thiadiazol-5-yl)propanamide
CID 4182320
N-(1-thiophen-2-ylpropyl)ethanesulfonamide
CID 47372817
2-chloro-6-methyl-N-(1-thiophen-2-ylpropyl)pyrimidin-4-amine
CID 62480981
6-hydrazinyl-2,5-dimethyl-N-(1-thiophen-2-ylpropyl)pyrimidin-4-amine
CID 80896820
6-ethyl-2-pyridin-2-yl-N-(1-thiophen-2-ylpropyl)pyrimidin-4-amine
CID 133336468

Frequently Asked Questions

What is the IUPAC name of 3-phenyl-N-(1-thiophen-2-ylpropyl)-1,2,4-thiadiazol-5-amine?
The IUPAC name of 3-phenyl-N-(1-thiophen-2-ylpropyl)-1,2,4-thiadiazol-5-amine (CID 133485617) is 3-phenyl-N-(1-thiophen-2-ylpropyl)-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for 3-phenyl-N-(1-thiophen-2-ylpropyl)-1,2,4-thiadiazol-5-amine?
The canonical SMILES for 3-phenyl-N-(1-thiophen-2-ylpropyl)-1,2,4-thiadiazol-5-amine is CCC(Nc1nc(-c2ccccc2)ns1)c1cccs1.
What is the InChIKey of 3-phenyl-N-(1-thiophen-2-ylpropyl)-1,2,4-thiadiazol-5-amine?
The InChIKey is KWVWVHMIUWXZNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3S2/c1-2-12(13-9-6-10-19-13)16-15-17-14(18-20-15)11-7-4-3-5-8-11/h3-10,12H,2H2,1H3,(H,16,17,18).
What are the key properties of 3-phenyl-N-(1-thiophen-2-ylpropyl)-1,2,4-thiadiazol-5-amine?
3-phenyl-N-(1-thiophen-2-ylpropyl)-1,2,4-thiadiazol-5-amine has a molecular weight of 301.44 g/mol, XLogP of 4.83, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-N-(1-thiophen-2-ylpropyl)-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 133485617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).