2-(4-methyl-1,3-thiazol-2-yl)butan-2-amine

C8H14N2S — CID 54594663

IUPAC2-(4-methyl-1,3-thiazol-2-yl)butan-2-amine
SMILESCCC(C)(N)c1nc(C)cs1
InChIInChI=1S/C8H14N2S/c1-4-8(3,9)7-10-6(2)5-11-7/h5H,4,9H2,1-3H3
InChIKeyIENJVAGPJNDVCO-UHFFFAOYSA-N
MW170.28 g/mol
LogP2.04
Rot. Bonds2

About 2-(4-methyl-1,3-thiazol-2-yl)butan-2-amine

2-(4-methyl-1,3-thiazol-2-yl)butan-2-amine (PubChem CID 54594663) has the molecular formula C8H14N2S and a molecular weight of 170.28 g/mol. Its IUPAC name is 2-(4-methyl-1,3-thiazol-2-yl)butan-2-amine.

Molecular Properties

Compound Name2-(4-methyl-1,3-thiazol-2-yl)butan-2-amine
PubChem CID54594663
Molecular FormulaC8H14N2S
Molecular Weight170.28 g/mol
Exact Mass170.09
IUPAC Name2-(4-methyl-1,3-thiazol-2-yl)butan-2-amine
SMILESCCC(C)(N)c1nc(C)cs1
InChIInChI=1S/C8H14N2S/c1-4-8(3,9)7-10-6(2)5-11-7/h5H,4,9H2,1-3H3
InChIKeyIENJVAGPJNDVCO-UHFFFAOYSA-N
XLogP2.04
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.28
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methyl-1,3-thiazol-2-yl)butan-2-amine?
The IUPAC name of 2-(4-methyl-1,3-thiazol-2-yl)butan-2-amine (CID 54594663) is 2-(4-methyl-1,3-thiazol-2-yl)butan-2-amine.
What is the SMILES notation for 2-(4-methyl-1,3-thiazol-2-yl)butan-2-amine?
The canonical SMILES for 2-(4-methyl-1,3-thiazol-2-yl)butan-2-amine is CCC(C)(N)c1nc(C)cs1.
What is the InChIKey of 2-(4-methyl-1,3-thiazol-2-yl)butan-2-amine?
The InChIKey is IENJVAGPJNDVCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2S/c1-4-8(3,9)7-10-6(2)5-11-7/h5H,4,9H2,1-3H3.
What are the key properties of 2-(4-methyl-1,3-thiazol-2-yl)butan-2-amine?
2-(4-methyl-1,3-thiazol-2-yl)butan-2-amine has a molecular weight of 170.28 g/mol, XLogP of 2.04, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methyl-1,3-thiazol-2-yl)butan-2-amine is sourced from PubChem (CID 54594663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).