1-(5-methyl-1,2-thiazol-3-yl)butan-1-amine

C8H14N2S — CID 82412310

IUPAC1-(5-methyl-1,2-thiazol-3-yl)butan-1-amine
SMILESCCCC(N)c1cc(C)sn1
InChIInChI=1S/C8H14N2S/c1-3-4-7(9)8-5-6(2)11-10-8/h5,7H,3-4,9H2,1-2H3
InChIKeyXBSOGMXQLGVZHJ-UHFFFAOYSA-N
MW170.28 g/mol
LogP2.25
Rot. Bonds3

About 1-(5-methyl-1,2-thiazol-3-yl)butan-1-amine

1-(5-methyl-1,2-thiazol-3-yl)butan-1-amine (PubChem CID 82412310) has the molecular formula C8H14N2S and a molecular weight of 170.28 g/mol. Its IUPAC name is 1-(5-methyl-1,2-thiazol-3-yl)butan-1-amine.

Molecular Properties

Compound Name1-(5-methyl-1,2-thiazol-3-yl)butan-1-amine
PubChem CID82412310
Molecular FormulaC8H14N2S
Molecular Weight170.28 g/mol
Exact Mass170.09
IUPAC Name1-(5-methyl-1,2-thiazol-3-yl)butan-1-amine
SMILESCCCC(N)c1cc(C)sn1
InChIInChI=1S/C8H14N2S/c1-3-4-7(9)8-5-6(2)11-10-8/h5,7H,3-4,9H2,1-2H3
InChIKeyXBSOGMXQLGVZHJ-UHFFFAOYSA-N
XLogP2.25
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 ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1,5-dimethylpyrazol-3-yl)butan-1-amine
CID 82413587
1-(6-methyl-2-pyridinyl)butan-1-amine
CID 63554352
1-(1,2,5-thiadiazol-3-yl)pentan-1-amine
CID 105125486
(1S)-1-(2,6-dimethoxy-4-methylphenyl)butan-1-amine;hydrochloride
CID 171235550
(1S)-1-(3,5-dimethyl-1H-pyrrol-2-yl)butan-1-amine
CID 55293029
1-(1,2,4-thiadiazol-5-yl)butan-1-amine
CID 82415875
(1R)-1-(6-methyl-2-pyridinyl)pentan-1-amine;hydrochloride
CID 171210683
6-[(1S)-1-aminobutyl]pyridin-3-amine
CID 130738853
5-[(1S)-1-aminobutyl]benzene-1,3-diol;hydrochloride
CID 171219418
(1S)-1-(6-methyl-2-pyridinyl)hexan-1-amine;hydrochloride
CID 171230282
1-(2-methyl-1,3-thiazol-4-yl)heptan-1-amine
CID 105126219
(1R)-1-(2,4,6-trimethoxyphenyl)butan-1-amine;hydrochloride
CID 171201035

Frequently Asked Questions

What is the IUPAC name of 1-(5-methyl-1,2-thiazol-3-yl)butan-1-amine?
The IUPAC name of 1-(5-methyl-1,2-thiazol-3-yl)butan-1-amine (CID 82412310) is 1-(5-methyl-1,2-thiazol-3-yl)butan-1-amine.
What is the SMILES notation for 1-(5-methyl-1,2-thiazol-3-yl)butan-1-amine?
The canonical SMILES for 1-(5-methyl-1,2-thiazol-3-yl)butan-1-amine is CCCC(N)c1cc(C)sn1.
What is the InChIKey of 1-(5-methyl-1,2-thiazol-3-yl)butan-1-amine?
The InChIKey is XBSOGMXQLGVZHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2S/c1-3-4-7(9)8-5-6(2)11-10-8/h5,7H,3-4,9H2,1-2H3.
What are the key properties of 1-(5-methyl-1,2-thiazol-3-yl)butan-1-amine?
1-(5-methyl-1,2-thiazol-3-yl)butan-1-amine has a molecular weight of 170.28 g/mol, XLogP of 2.25, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methyl-1,2-thiazol-3-yl)butan-1-amine is sourced from PubChem (CID 82412310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).