2-pyridin-3-yl-4-(1,3-thiazol-5-yl)butan-1-amine

C12H15N3S — CID 174430323

IUPAC2-pyridin-3-yl-4-(1,3-thiazol-5-yl)butan-1-amine
SMILESNCC(CCc1cncs1)c1cccnc1
InChIInChI=1S/C12H15N3S/c13-6-10(11-2-1-5-14-7-11)3-4-12-8-15-9-16-12/h1-2,5,7-10H,3-4,6,13H2
InChIKeyHWQGBDZEZAPEDO-UHFFFAOYSA-N
MW233.34 g/mol
LogP2.21
Rot. Bonds5

About 2-pyridin-3-yl-4-(1,3-thiazol-5-yl)butan-1-amine

2-pyridin-3-yl-4-(1,3-thiazol-5-yl)butan-1-amine (PubChem CID 174430323) has the molecular formula C12H15N3S and a molecular weight of 233.34 g/mol. Its IUPAC name is 2-pyridin-3-yl-4-(1,3-thiazol-5-yl)butan-1-amine.

Molecular Properties

Compound Name2-pyridin-3-yl-4-(1,3-thiazol-5-yl)butan-1-amine
PubChem CID174430323
Molecular FormulaC12H15N3S
Molecular Weight233.34 g/mol
Exact Mass233.10
IUPAC Name2-pyridin-3-yl-4-(1,3-thiazol-5-yl)butan-1-amine
SMILESNCC(CCc1cncs1)c1cccnc1
InChIInChI=1S/C12H15N3S/c13-6-10(11-2-1-5-14-7-11)3-4-12-8-15-9-16-12/h1-2,5,7-10H,3-4,6,13H2
InChIKeyHWQGBDZEZAPEDO-UHFFFAOYSA-N
XLogP2.21
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.34
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[1-pyridin-3-yl-2-(1,3-thiazol-5-yl)ethyl] formate
CID 175251940
1-phenyl-4-(1,3-thiazol-5-yl)butan-1-ol
CID 112644716
1-pyridin-3-ylpropane-1,3-diamine
CID 116932848
2-(2-methylphenyl)-3-(1,3-thiazol-5-yl)propan-1-amine
CID 112644178
3-(3-chlorophenyl)-2-pyridin-3-ylpropan-1-amine
CID 83825270
1,5-bis(1,3-thiazol-5-yl)-3-(1,3-thiazol-5-ylmethyl)pentan-2-amine
CID 130303677
3-(2-methoxyphenoxy)-2-pyridin-3-ylpropan-1-amine
CID 112516632
(1R)-3-fluoro-1-pyridin-3-ylpropan-1-amine;hydrochloride
CID 171201508
2-methyl-1-pyridin-3-ylpropane-1,3-diamine
CID 116933165
(1S,2S)-1,2-dipyridin-3-ylethane-1,2-diamine
CID 30682697
3-(3-amino-2-pyridin-3-ylpropoxy)phenol
CID 117241277
1-amino-4,5-dimethyl-2-pyridin-3-ylhexan-3-ol
CID 80523424

Frequently Asked Questions

What is the IUPAC name of 2-pyridin-3-yl-4-(1,3-thiazol-5-yl)butan-1-amine?
The IUPAC name of 2-pyridin-3-yl-4-(1,3-thiazol-5-yl)butan-1-amine (CID 174430323) is 2-pyridin-3-yl-4-(1,3-thiazol-5-yl)butan-1-amine.
What is the SMILES notation for 2-pyridin-3-yl-4-(1,3-thiazol-5-yl)butan-1-amine?
The canonical SMILES for 2-pyridin-3-yl-4-(1,3-thiazol-5-yl)butan-1-amine is NCC(CCc1cncs1)c1cccnc1.
What is the InChIKey of 2-pyridin-3-yl-4-(1,3-thiazol-5-yl)butan-1-amine?
The InChIKey is HWQGBDZEZAPEDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3S/c13-6-10(11-2-1-5-14-7-11)3-4-12-8-15-9-16-12/h1-2,5,7-10H,3-4,6,13H2.
What are the key properties of 2-pyridin-3-yl-4-(1,3-thiazol-5-yl)butan-1-amine?
2-pyridin-3-yl-4-(1,3-thiazol-5-yl)butan-1-amine has a molecular weight of 233.34 g/mol, XLogP of 2.21, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyridin-3-yl-4-(1,3-thiazol-5-yl)butan-1-amine is sourced from PubChem (CID 174430323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).