4-(furan-2-yl)-5-(2-methylpropyl)-1,3-thiazol-2-amine

C11H14N2OS — CID 23112572

IUPAC4-(furan-2-yl)-5-(2-methylpropyl)-1,3-thiazol-2-amine
SMILESCC(C)Cc1sc(N)nc1-c1ccco1
InChIInChI=1S/C11H14N2OS/c1-7(2)6-9-10(13-11(12)15-9)8-4-3-5-14-8/h3-5,7H,6H2,1-2H3,(H2,12,13)
InChIKeyHVCGEHXSULKPIU-UHFFFAOYSA-N
MW222.31 g/mol
LogP3.18
Rot. Bonds3

About 4-(furan-2-yl)-5-(2-methylpropyl)-1,3-thiazol-2-amine

4-(furan-2-yl)-5-(2-methylpropyl)-1,3-thiazol-2-amine (PubChem CID 23112572) has the molecular formula C11H14N2OS and a molecular weight of 222.31 g/mol. Its IUPAC name is 4-(furan-2-yl)-5-(2-methylpropyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-(furan-2-yl)-5-(2-methylpropyl)-1,3-thiazol-2-amine
PubChem CID23112572
Molecular FormulaC11H14N2OS
Molecular Weight222.31 g/mol
Exact Mass222.08
IUPAC Name4-(furan-2-yl)-5-(2-methylpropyl)-1,3-thiazol-2-amine
SMILESCC(C)Cc1sc(N)nc1-c1ccco1
InChIInChI=1S/C11H14N2OS/c1-7(2)6-9-10(13-11(12)15-9)8-4-3-5-14-8/h3-5,7H,6H2,1-2H3,(H2,12,13)
InChIKeyHVCGEHXSULKPIU-UHFFFAOYSA-N
XLogP3.18
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.31
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(furan-2-yl)-5-(2-methylpropyl)-1,3-thiazol-2-amine?
The IUPAC name of 4-(furan-2-yl)-5-(2-methylpropyl)-1,3-thiazol-2-amine (CID 23112572) is 4-(furan-2-yl)-5-(2-methylpropyl)-1,3-thiazol-2-amine.
What is the SMILES notation for 4-(furan-2-yl)-5-(2-methylpropyl)-1,3-thiazol-2-amine?
The canonical SMILES for 4-(furan-2-yl)-5-(2-methylpropyl)-1,3-thiazol-2-amine is CC(C)Cc1sc(N)nc1-c1ccco1.
What is the InChIKey of 4-(furan-2-yl)-5-(2-methylpropyl)-1,3-thiazol-2-amine?
The InChIKey is HVCGEHXSULKPIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2OS/c1-7(2)6-9-10(13-11(12)15-9)8-4-3-5-14-8/h3-5,7H,6H2,1-2H3,(H2,12,13).
What are the key properties of 4-(furan-2-yl)-5-(2-methylpropyl)-1,3-thiazol-2-amine?
4-(furan-2-yl)-5-(2-methylpropyl)-1,3-thiazol-2-amine has a molecular weight of 222.31 g/mol, XLogP of 3.18, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(furan-2-yl)-5-(2-methylpropyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 23112572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).