1-(4-thiophen-3-yl-1,3-thiazol-2-yl)butan-1-amine

C11H14N2S2 — CID 62089245

IUPAC1-(4-thiophen-3-yl-1,3-thiazol-2-yl)butan-1-amine
SMILESCCCC(N)c1nc(-c2ccsc2)cs1
InChIInChI=1S/C11H14N2S2/c1-2-3-9(12)11-13-10(7-15-11)8-4-5-14-6-8/h4-7,9H,2-3,12H2,1H3
InChIKeyILNQZBHTLHRSKH-UHFFFAOYSA-N
MW238.38 g/mol
LogP3.67
Rot. Bonds4

About 1-(4-thiophen-3-yl-1,3-thiazol-2-yl)butan-1-amine

1-(4-thiophen-3-yl-1,3-thiazol-2-yl)butan-1-amine (PubChem CID 62089245) has the molecular formula C11H14N2S2 and a molecular weight of 238.38 g/mol. Its IUPAC name is 1-(4-thiophen-3-yl-1,3-thiazol-2-yl)butan-1-amine.

Molecular Properties

Compound Name1-(4-thiophen-3-yl-1,3-thiazol-2-yl)butan-1-amine
PubChem CID62089245
Molecular FormulaC11H14N2S2
Molecular Weight238.38 g/mol
Exact Mass238.06
IUPAC Name1-(4-thiophen-3-yl-1,3-thiazol-2-yl)butan-1-amine
SMILESCCCC(N)c1nc(-c2ccsc2)cs1
InChIInChI=1S/C11H14N2S2/c1-2-3-9(12)11-13-10(7-15-11)8-4-5-14-6-8/h4-7,9H,2-3,12H2,1H3
InChIKeyILNQZBHTLHRSKH-UHFFFAOYSA-N
XLogP3.67
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.38
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-thiophen-3-yl-1,3-thiazol-2-yl)butan-1-amine?
The IUPAC name of 1-(4-thiophen-3-yl-1,3-thiazol-2-yl)butan-1-amine (CID 62089245) is 1-(4-thiophen-3-yl-1,3-thiazol-2-yl)butan-1-amine.
What is the SMILES notation for 1-(4-thiophen-3-yl-1,3-thiazol-2-yl)butan-1-amine?
The canonical SMILES for 1-(4-thiophen-3-yl-1,3-thiazol-2-yl)butan-1-amine is CCCC(N)c1nc(-c2ccsc2)cs1.
What is the InChIKey of 1-(4-thiophen-3-yl-1,3-thiazol-2-yl)butan-1-amine?
The InChIKey is ILNQZBHTLHRSKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2S2/c1-2-3-9(12)11-13-10(7-15-11)8-4-5-14-6-8/h4-7,9H,2-3,12H2,1H3.
What are the key properties of 1-(4-thiophen-3-yl-1,3-thiazol-2-yl)butan-1-amine?
1-(4-thiophen-3-yl-1,3-thiazol-2-yl)butan-1-amine has a molecular weight of 238.38 g/mol, XLogP of 3.67, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-thiophen-3-yl-1,3-thiazol-2-yl)butan-1-amine is sourced from PubChem (CID 62089245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).