1-[2-(3-methylbutyl)-1,3-thiazol-5-yl]ethanamine

C10H18N2S — CID 62653547

IUPAC1-[2-(3-methylbutyl)-1,3-thiazol-5-yl]ethanamine
SMILESCC(C)CCc1ncc(C(C)N)s1
InChIInChI=1S/C10H18N2S/c1-7(2)4-5-10-12-6-9(13-10)8(3)11/h6-8H,4-5,11H2,1-3H3
InChIKeySTQQOYHEOWHOAQ-UHFFFAOYSA-N
MW198.33 g/mol
LogP2.75
Rot. Bonds4

About 1-[2-(3-methylbutyl)-1,3-thiazol-5-yl]ethanamine

1-[2-(3-methylbutyl)-1,3-thiazol-5-yl]ethanamine (PubChem CID 62653547) has the molecular formula C10H18N2S and a molecular weight of 198.33 g/mol. Its IUPAC name is 1-[2-(3-methylbutyl)-1,3-thiazol-5-yl]ethanamine.

Molecular Properties

Compound Name1-[2-(3-methylbutyl)-1,3-thiazol-5-yl]ethanamine
PubChem CID62653547
Molecular FormulaC10H18N2S
Molecular Weight198.33 g/mol
Exact Mass198.12
IUPAC Name1-[2-(3-methylbutyl)-1,3-thiazol-5-yl]ethanamine
SMILESCC(C)CCc1ncc(C(C)N)s1
InChIInChI=1S/C10H18N2S/c1-7(2)4-5-10-12-6-9(13-10)8(3)11/h6-8H,4-5,11H2,1-3H3
InChIKeySTQQOYHEOWHOAQ-UHFFFAOYSA-N
XLogP2.75
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.33
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-methylbutyl)-1,3-thiazol-5-yl]ethanamine?
The IUPAC name of 1-[2-(3-methylbutyl)-1,3-thiazol-5-yl]ethanamine (CID 62653547) is 1-[2-(3-methylbutyl)-1,3-thiazol-5-yl]ethanamine.
What is the SMILES notation for 1-[2-(3-methylbutyl)-1,3-thiazol-5-yl]ethanamine?
The canonical SMILES for 1-[2-(3-methylbutyl)-1,3-thiazol-5-yl]ethanamine is CC(C)CCc1ncc(C(C)N)s1.
What is the InChIKey of 1-[2-(3-methylbutyl)-1,3-thiazol-5-yl]ethanamine?
The InChIKey is STQQOYHEOWHOAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2S/c1-7(2)4-5-10-12-6-9(13-10)8(3)11/h6-8H,4-5,11H2,1-3H3.
What are the key properties of 1-[2-(3-methylbutyl)-1,3-thiazol-5-yl]ethanamine?
1-[2-(3-methylbutyl)-1,3-thiazol-5-yl]ethanamine has a molecular weight of 198.33 g/mol, XLogP of 2.75, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-methylbutyl)-1,3-thiazol-5-yl]ethanamine is sourced from PubChem (CID 62653547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).