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

C7H12N2S — CID 126985785

IUPAC3-(1,2-thiazol-3-yl)butan-1-amine
SMILESCC(CCN)c1ccsn1
InChIInChI=1S/C7H12N2S/c1-6(2-4-8)7-3-5-10-9-7/h3,5-6H,2,4,8H2,1H3
InChIKeyNALKENRVNZVGGZ-UHFFFAOYSA-N
MW156.25 g/mol
LogP1.60
Rot. Bonds3

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

3-(1,2-thiazol-3-yl)butan-1-amine (PubChem CID 126985785) has the molecular formula C7H12N2S and a molecular weight of 156.25 g/mol. Its IUPAC name is 3-(1,2-thiazol-3-yl)butan-1-amine.

Molecular Properties

Compound Name3-(1,2-thiazol-3-yl)butan-1-amine
PubChem CID126985785
Molecular FormulaC7H12N2S
Molecular Weight156.25 g/mol
Exact Mass156.07
IUPAC Name3-(1,2-thiazol-3-yl)butan-1-amine
SMILESCC(CCN)c1ccsn1
InChIInChI=1S/C7H12N2S/c1-6(2-4-8)7-3-5-10-9-7/h3,5-6H,2,4,8H2,1H3
InChIKeyNALKENRVNZVGGZ-UHFFFAOYSA-N
XLogP1.60
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.25
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-1-(1,2-thiazol-3-yl)propane-1-thiol
CID 57258567
3-(1-chloroethyl)-1,2-thiazole
CID 130920926
2-methyl-1-(1,2-thiazol-3-yl)butan-1-ol
CID 131020007
1,2-thiazol-3-ylmethanamine;hydrochloride
CID 122236341
1-(1,2-thiazol-3-yl)octylindigane
CID 173228993
1-(1,2-thiazol-3-yl)but-3-en-1-amine
CID 130632089
2,2-dimethyl-1-(1,2-thiazol-3-yl)butan-1-ol
CID 130727781
3-(1H-pyrazol-5-yl)butan-1-amine
CID 82594079
3-[4-(difluoromethyl)phenyl]butan-1-amine
CID 117288660
3-(4-pyridin-4-ylphenyl)butan-1-amine
CID 82542949
3-(5-methyl-1,2-oxazol-4-yl)butan-1-amine
CID 82416594
3-(1-ethylpyrazol-4-yl)butan-1-amine
CID 81014220

Frequently Asked Questions

What is the IUPAC name of 3-(1,2-thiazol-3-yl)butan-1-amine?
The IUPAC name of 3-(1,2-thiazol-3-yl)butan-1-amine (CID 126985785) is 3-(1,2-thiazol-3-yl)butan-1-amine.
What is the SMILES notation for 3-(1,2-thiazol-3-yl)butan-1-amine?
The canonical SMILES for 3-(1,2-thiazol-3-yl)butan-1-amine is CC(CCN)c1ccsn1.
What is the InChIKey of 3-(1,2-thiazol-3-yl)butan-1-amine?
The InChIKey is NALKENRVNZVGGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2S/c1-6(2-4-8)7-3-5-10-9-7/h3,5-6H,2,4,8H2,1H3.
What are the key properties of 3-(1,2-thiazol-3-yl)butan-1-amine?
3-(1,2-thiazol-3-yl)butan-1-amine has a molecular weight of 156.25 g/mol, XLogP of 1.60, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,2-thiazol-3-yl)butan-1-amine is sourced from PubChem (CID 126985785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).