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

C13H19N3S2 — CID 65276944

IUPAC3-propan-2-yl-N-(1-thiophen-2-ylbutyl)-1,2,4-thiadiazol-5-amine
SMILESCCCC(Nc1nc(C(C)C)ns1)c1cccs1
InChIInChI=1S/C13H19N3S2/c1-4-6-10(11-7-5-8-17-11)14-13-15-12(9(2)3)16-18-13/h5,7-10H,4,6H2,1-3H3,(H,14,15,16)
InChIKeyNBWLMDKBZWEHNZ-UHFFFAOYSA-N
MW281.45 g/mol
LogP4.68
Rot. Bonds6

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

3-propan-2-yl-N-(1-thiophen-2-ylbutyl)-1,2,4-thiadiazol-5-amine (PubChem CID 65276944) has the molecular formula C13H19N3S2 and a molecular weight of 281.45 g/mol. Its IUPAC name is 3-propan-2-yl-N-(1-thiophen-2-ylbutyl)-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound Name3-propan-2-yl-N-(1-thiophen-2-ylbutyl)-1,2,4-thiadiazol-5-amine
PubChem CID65276944
Molecular FormulaC13H19N3S2
Molecular Weight281.45 g/mol
Exact Mass281.10
IUPAC Name3-propan-2-yl-N-(1-thiophen-2-ylbutyl)-1,2,4-thiadiazol-5-amine
SMILESCCCC(Nc1nc(C(C)C)ns1)c1cccs1
InChIInChI=1S/C13H19N3S2/c1-4-6-10(11-7-5-8-17-11)14-13-15-12(9(2)3)16-18-13/h5,7-10H,4,6H2,1-3H3,(H,14,15,16)
InChIKeyNBWLMDKBZWEHNZ-UHFFFAOYSA-N
XLogP4.68
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.45
LogP ≤ 54.68
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
4-ethyl-N-(1-thiophen-2-ylbutyl)-1,3-thiazol-2-amine
CID 62961002
3-phenyl-N-(1-thiophen-2-ylpropyl)-1,2,4-thiadiazol-5-amine
CID 133485617
N-octan-4-yl-3-propan-2-yl-1,2,4-thiadiazol-5-amine
CID 106026374
6-methyl-N-(1-thiophen-2-ylbutyl)pyridin-2-amine
CID 54962999
5,6-diethyl-N-(1-thiophen-2-ylbutyl)-1,2,4-triazin-3-amine
CID 105362540
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
3-propyl-N-(1-thiophen-2-ylethyl)-1,2,4-thiadiazol-5-amine
CID 65271045
5-bromo-4-methoxy-N-(1-thiophen-2-ylbutyl)pyrimidin-2-amine
CID 106997660
4-ethoxy-5-N-(1-thiophen-2-ylbutyl)-1,2-thiazole-3,5-diamine
CID 103360094

Frequently Asked Questions

What is the IUPAC name of 3-propan-2-yl-N-(1-thiophen-2-ylbutyl)-1,2,4-thiadiazol-5-amine?
The IUPAC name of 3-propan-2-yl-N-(1-thiophen-2-ylbutyl)-1,2,4-thiadiazol-5-amine (CID 65276944) is 3-propan-2-yl-N-(1-thiophen-2-ylbutyl)-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for 3-propan-2-yl-N-(1-thiophen-2-ylbutyl)-1,2,4-thiadiazol-5-amine?
The canonical SMILES for 3-propan-2-yl-N-(1-thiophen-2-ylbutyl)-1,2,4-thiadiazol-5-amine is CCCC(Nc1nc(C(C)C)ns1)c1cccs1.
What is the InChIKey of 3-propan-2-yl-N-(1-thiophen-2-ylbutyl)-1,2,4-thiadiazol-5-amine?
The InChIKey is NBWLMDKBZWEHNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3S2/c1-4-6-10(11-7-5-8-17-11)14-13-15-12(9(2)3)16-18-13/h5,7-10H,4,6H2,1-3H3,(H,14,15,16).
What are the key properties of 3-propan-2-yl-N-(1-thiophen-2-ylbutyl)-1,2,4-thiadiazol-5-amine?
3-propan-2-yl-N-(1-thiophen-2-ylbutyl)-1,2,4-thiadiazol-5-amine has a molecular weight of 281.45 g/mol, XLogP of 4.68, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propan-2-yl-N-(1-thiophen-2-ylbutyl)-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 65276944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).