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

C8H14N2S — CID 82412306

IUPAC(1S,2S)-2-methyl-1-(1,2-thiazol-3-yl)butan-1-amine
SMILESCC[C@H](C)[C@H](N)c1ccsn1
InChIInChI=1S/C8H14N2S/c1-3-6(2)8(9)7-4-5-11-10-7/h4-6,8H,3,9H2,1-2H3/t6-,8-/m0/s1
InChIKeyIJCNEDDSYNBARK-XPUUQOCRSA-N
MW170.28 g/mol
LogP2.19
Rot. Bonds3

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

(1S,2S)-2-methyl-1-(1,2-thiazol-3-yl)butan-1-amine (PubChem CID 82412306) has the molecular formula C8H14N2S and a molecular weight of 170.28 g/mol. Its IUPAC name is (1S,2S)-2-methyl-1-(1,2-thiazol-3-yl)butan-1-amine.

Molecular Properties

Compound Name(1S,2S)-2-methyl-1-(1,2-thiazol-3-yl)butan-1-amine
PubChem CID82412306
Molecular FormulaC8H14N2S
Molecular Weight170.28 g/mol
Exact Mass170.09
IUPAC Name(1S,2S)-2-methyl-1-(1,2-thiazol-3-yl)butan-1-amine
SMILESCC[C@H](C)[C@H](N)c1ccsn1
InChIInChI=1S/C8H14N2S/c1-3-6(2)8(9)7-4-5-11-10-7/h4-6,8H,3,9H2,1-2H3/t6-,8-/m0/s1
InChIKeyIJCNEDDSYNBARK-XPUUQOCRSA-N
XLogP2.19
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.28
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (1S,2S)-2-methyl-1-(1,2-thiazol-3-yl)butan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (1S,2S)-2-methyl-1-(1,2-thiazol-3-yl)butan-1-amine?
The IUPAC name of (1S,2S)-2-methyl-1-(1,2-thiazol-3-yl)butan-1-amine (CID 82412306) is (1S,2S)-2-methyl-1-(1,2-thiazol-3-yl)butan-1-amine.
What is the SMILES notation for (1S,2S)-2-methyl-1-(1,2-thiazol-3-yl)butan-1-amine?
The canonical SMILES for (1S,2S)-2-methyl-1-(1,2-thiazol-3-yl)butan-1-amine is CC[C@H](C)[C@H](N)c1ccsn1.
What is the InChIKey of (1S,2S)-2-methyl-1-(1,2-thiazol-3-yl)butan-1-amine?
The InChIKey is IJCNEDDSYNBARK-XPUUQOCRSA-N. The full InChI is InChI=1S/C8H14N2S/c1-3-6(2)8(9)7-4-5-11-10-7/h4-6,8H,3,9H2,1-2H3/t6-,8-/m0/s1.
What are the key properties of (1S,2S)-2-methyl-1-(1,2-thiazol-3-yl)butan-1-amine?
(1S,2S)-2-methyl-1-(1,2-thiazol-3-yl)butan-1-amine has a molecular weight of 170.28 g/mol, XLogP of 2.19, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2S)-2-methyl-1-(1,2-thiazol-3-yl)butan-1-amine is sourced from PubChem (CID 82412306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).