1-[4-(furan-2-yl)-1,3-thiazol-2-yl]butan-1-amine

C11H14N2OS — CID 61339173

IUPAC1-[4-(furan-2-yl)-1,3-thiazol-2-yl]butan-1-amine
SMILESCCCC(N)c1nc(-c2ccco2)cs1
InChIInChI=1S/C11H14N2OS/c1-2-4-8(12)11-13-9(7-15-11)10-5-3-6-14-10/h3,5-8H,2,4,12H2,1H3
InChIKeyWZESIPPKQLHNAA-UHFFFAOYSA-N
MW222.31 g/mol
LogP3.20
Rot. Bonds4

About 1-[4-(furan-2-yl)-1,3-thiazol-2-yl]butan-1-amine

1-[4-(furan-2-yl)-1,3-thiazol-2-yl]butan-1-amine (PubChem CID 61339173) has the molecular formula C11H14N2OS and a molecular weight of 222.31 g/mol. Its IUPAC name is 1-[4-(furan-2-yl)-1,3-thiazol-2-yl]butan-1-amine.

Molecular Properties

Compound Name1-[4-(furan-2-yl)-1,3-thiazol-2-yl]butan-1-amine
PubChem CID61339173
Molecular FormulaC11H14N2OS
Molecular Weight222.31 g/mol
Exact Mass222.08
IUPAC Name1-[4-(furan-2-yl)-1,3-thiazol-2-yl]butan-1-amine
SMILESCCCC(N)c1nc(-c2ccco2)cs1
InChIInChI=1S/C11H14N2OS/c1-2-4-8(12)11-13-9(7-15-11)10-5-3-6-14-10/h3,5-8H,2,4,12H2,1H3
InChIKeyWZESIPPKQLHNAA-UHFFFAOYSA-N
XLogP3.20
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.31
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(furan-2-yl)-1,3-thiazol-2-yl]butan-1-amine?
The IUPAC name of 1-[4-(furan-2-yl)-1,3-thiazol-2-yl]butan-1-amine (CID 61339173) is 1-[4-(furan-2-yl)-1,3-thiazol-2-yl]butan-1-amine.
What is the SMILES notation for 1-[4-(furan-2-yl)-1,3-thiazol-2-yl]butan-1-amine?
The canonical SMILES for 1-[4-(furan-2-yl)-1,3-thiazol-2-yl]butan-1-amine is CCCC(N)c1nc(-c2ccco2)cs1.
What is the InChIKey of 1-[4-(furan-2-yl)-1,3-thiazol-2-yl]butan-1-amine?
The InChIKey is WZESIPPKQLHNAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2OS/c1-2-4-8(12)11-13-9(7-15-11)10-5-3-6-14-10/h3,5-8H,2,4,12H2,1H3.
What are the key properties of 1-[4-(furan-2-yl)-1,3-thiazol-2-yl]butan-1-amine?
1-[4-(furan-2-yl)-1,3-thiazol-2-yl]butan-1-amine has a molecular weight of 222.31 g/mol, XLogP of 3.20, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(furan-2-yl)-1,3-thiazol-2-yl]butan-1-amine is sourced from PubChem (CID 61339173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).