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

C12H15N3S — CID 116965067

IUPAC3-(4-pyridin-3-yl-1,3-thiazol-2-yl)butan-1-amine
SMILESCC(CCN)c1nc(-c2cccnc2)cs1
InChIInChI=1S/C12H15N3S/c1-9(4-5-13)12-15-11(8-16-12)10-3-2-6-14-7-10/h2-3,6-9H,4-5,13H2,1H3
InChIKeyKJVQSSFHBISEJA-UHFFFAOYSA-N
MW233.34 g/mol
LogP2.66
Rot. Bonds4

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

3-(4-pyridin-3-yl-1,3-thiazol-2-yl)butan-1-amine (PubChem CID 116965067) has the molecular formula C12H15N3S and a molecular weight of 233.34 g/mol. Its IUPAC name is 3-(4-pyridin-3-yl-1,3-thiazol-2-yl)butan-1-amine.

Molecular Properties

Compound Name3-(4-pyridin-3-yl-1,3-thiazol-2-yl)butan-1-amine
PubChem CID116965067
Molecular FormulaC12H15N3S
Molecular Weight233.34 g/mol
Exact Mass233.10
IUPAC Name3-(4-pyridin-3-yl-1,3-thiazol-2-yl)butan-1-amine
SMILESCC(CCN)c1nc(-c2cccnc2)cs1
InChIInChI=1S/C12H15N3S/c1-9(4-5-13)12-15-11(8-16-12)10-3-2-6-14-7-10/h2-3,6-9H,4-5,13H2,1H3
InChIKeyKJVQSSFHBISEJA-UHFFFAOYSA-N
XLogP2.66
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.34
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-phenyl-1,3-thiazol-2-yl)butan-1-amine
CID 116965041
3-(4-pyridin-2-yl-1,3-thiazol-2-yl)butan-1-amine
CID 116965066
3-(4-pyridin-3-ylpyrimidin-2-yl)butan-1-amine
CID 116898228
2-(4-pyridin-3-yl-1,3-thiazol-2-yl)ethanamine
CID 24690096
3-[4-(2-bromophenyl)-1,3-thiazol-2-yl]butan-1-amine
CID 116965075
3,3-dimethyl-4-(4-pyridin-3-yl-1,3-thiazol-2-yl)butan-1-amine
CID 116968292
3-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]butan-1-amine
CID 116965045
1-[4-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)-1,3-thiazol-2-yl]ethanamine
CID 66373458
4-phenyl-2-propan-2-yl-1,3-thiazole
CID 604821
2-methyl-4-(4-pyridin-3-yl-1,3-thiazol-2-yl)butan-2-amine
CID 116965254
1-(1,3-dihydroisoindol-2-yl)-2-[1-(4-pyridin-3-yl-1,3-thiazol-2-yl)ethylamino]ethanone
CID 166293905
[3-(2-butan-2-yl-1,3-thiazol-4-yl)phenyl]methanamine
CID 63717442

Frequently Asked Questions

What is the IUPAC name of 3-(4-pyridin-3-yl-1,3-thiazol-2-yl)butan-1-amine?
The IUPAC name of 3-(4-pyridin-3-yl-1,3-thiazol-2-yl)butan-1-amine (CID 116965067) is 3-(4-pyridin-3-yl-1,3-thiazol-2-yl)butan-1-amine.
What is the SMILES notation for 3-(4-pyridin-3-yl-1,3-thiazol-2-yl)butan-1-amine?
The canonical SMILES for 3-(4-pyridin-3-yl-1,3-thiazol-2-yl)butan-1-amine is CC(CCN)c1nc(-c2cccnc2)cs1.
What is the InChIKey of 3-(4-pyridin-3-yl-1,3-thiazol-2-yl)butan-1-amine?
The InChIKey is KJVQSSFHBISEJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3S/c1-9(4-5-13)12-15-11(8-16-12)10-3-2-6-14-7-10/h2-3,6-9H,4-5,13H2,1H3.
What are the key properties of 3-(4-pyridin-3-yl-1,3-thiazol-2-yl)butan-1-amine?
3-(4-pyridin-3-yl-1,3-thiazol-2-yl)butan-1-amine has a molecular weight of 233.34 g/mol, XLogP of 2.66, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-pyridin-3-yl-1,3-thiazol-2-yl)butan-1-amine is sourced from PubChem (CID 116965067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).