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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Related Compounds

1-(4-thiophen-3-yl-1,3-thiazol-2-yl)ethanamine
CID 62091887
1-[4-(4-bromophenyl)-1,3-thiazol-2-yl]butan-1-amine
CID 61338979
1-(4-naphthalen-2-yl-1,3-thiazol-2-yl)butan-1-amine
CID 61338017
1-[4-(furan-2-yl)-1,3-thiazol-2-yl]butan-1-amine
CID 61339173
1-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1,3-thiazol-2-yl]butan-1-amine
CID 61336845
1-[4-(2,4-difluorophenyl)-1,3-thiazol-2-yl]butan-1-amine
CID 61338205
1-(4-methyl-1,3-thiazol-2-yl)octan-1-amine
CID 61331846
(1S,2S)-1-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-2-methylbutan-1-amine
CID 67292696
2-methyl-1-(4-thiophen-3-yl-1,3-thiazol-2-yl)propan-1-one
CID 58782137
2-amino-2-[4-(3-methylphenyl)-1,3-thiazol-2-yl]ethanol
CID 116966783
1-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]propan-1-amine
CID 61339170
(1S)-1-(4-methyl-1,3-thiazol-2-yl)propan-1-amine
CID 42078005

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).