[4-[(E)-2,3-dimethylbut-1-enyl]-1,3-thiazol-2-yl]methanamine

C10H16N2S — CID 59922924

IUPAC[4-[(E)-2,3-dimethylbut-1-enyl]-1,3-thiazol-2-yl]methanamine
SMILESC/C(=C\c1csc(CN)n1)C(C)C
InChIInChI=1S/C10H16N2S/c1-7(2)8(3)4-9-6-13-10(5-11)12-9/h4,6-7H,5,11H2,1-3H3/b8-4+
InChIKeyCOMPHEOKIRBSIK-XBXARRHUSA-N
MW196.32 g/mol
LogP2.66
Rot. Bonds3

About [4-[(E)-2,3-dimethylbut-1-enyl]-1,3-thiazol-2-yl]methanamine

[4-[(E)-2,3-dimethylbut-1-enyl]-1,3-thiazol-2-yl]methanamine (PubChem CID 59922924) has the molecular formula C10H16N2S and a molecular weight of 196.32 g/mol. Its IUPAC name is [4-[(E)-2,3-dimethylbut-1-enyl]-1,3-thiazol-2-yl]methanamine.

Molecular Properties

Compound Name[4-[(E)-2,3-dimethylbut-1-enyl]-1,3-thiazol-2-yl]methanamine
PubChem CID59922924
Molecular FormulaC10H16N2S
Molecular Weight196.32 g/mol
Exact Mass196.10
IUPAC Name[4-[(E)-2,3-dimethylbut-1-enyl]-1,3-thiazol-2-yl]methanamine
SMILESC/C(=C\c1csc(CN)n1)C(C)C
InChIInChI=1S/C10H16N2S/c1-7(2)8(3)4-9-6-13-10(5-11)12-9/h4,6-7H,5,11H2,1-3H3/b8-4+
InChIKeyCOMPHEOKIRBSIK-XBXARRHUSA-N
XLogP2.66
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.32
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [4-[(E)-2,3-dimethylbut-1-enyl]-1,3-thiazol-2-yl]methanamine?
The IUPAC name of [4-[(E)-2,3-dimethylbut-1-enyl]-1,3-thiazol-2-yl]methanamine (CID 59922924) is [4-[(E)-2,3-dimethylbut-1-enyl]-1,3-thiazol-2-yl]methanamine.
What is the SMILES notation for [4-[(E)-2,3-dimethylbut-1-enyl]-1,3-thiazol-2-yl]methanamine?
The canonical SMILES for [4-[(E)-2,3-dimethylbut-1-enyl]-1,3-thiazol-2-yl]methanamine is C/C(=C\c1csc(CN)n1)C(C)C.
What is the InChIKey of [4-[(E)-2,3-dimethylbut-1-enyl]-1,3-thiazol-2-yl]methanamine?
The InChIKey is COMPHEOKIRBSIK-XBXARRHUSA-N. The full InChI is InChI=1S/C10H16N2S/c1-7(2)8(3)4-9-6-13-10(5-11)12-9/h4,6-7H,5,11H2,1-3H3/b8-4+.
What are the key properties of [4-[(E)-2,3-dimethylbut-1-enyl]-1,3-thiazol-2-yl]methanamine?
[4-[(E)-2,3-dimethylbut-1-enyl]-1,3-thiazol-2-yl]methanamine has a molecular weight of 196.32 g/mol, XLogP of 2.66, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(E)-2,3-dimethylbut-1-enyl]-1,3-thiazol-2-yl]methanamine is sourced from PubChem (CID 59922924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).