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

C12H15N3S — CID 57161839

IUPAC3-pyridin-2-yl-1-(1,3-thiazol-2-yl)butan-1-amine
SMILESCC(CC(N)c1nccs1)c1ccccn1
InChIInChI=1S/C12H15N3S/c1-9(11-4-2-3-5-14-11)8-10(13)12-15-6-7-16-12/h2-7,9-10H,8,13H2,1H3
InChIKeyMLVWWVWQPHZJRR-UHFFFAOYSA-N
MW233.34 g/mol
LogP2.73
Rot. Bonds4

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

3-pyridin-2-yl-1-(1,3-thiazol-2-yl)butan-1-amine (PubChem CID 57161839) has the molecular formula C12H15N3S and a molecular weight of 233.34 g/mol. Its IUPAC name is 3-pyridin-2-yl-1-(1,3-thiazol-2-yl)butan-1-amine.

Molecular Properties

Compound Name3-pyridin-2-yl-1-(1,3-thiazol-2-yl)butan-1-amine
PubChem CID57161839
Molecular FormulaC12H15N3S
Molecular Weight233.34 g/mol
Exact Mass233.10
IUPAC Name3-pyridin-2-yl-1-(1,3-thiazol-2-yl)butan-1-amine
SMILESCC(CC(N)c1nccs1)c1ccccn1
InChIInChI=1S/C12H15N3S/c1-9(11-4-2-3-5-14-11)8-10(13)12-15-6-7-16-12/h2-7,9-10H,8,13H2,1H3
InChIKeyMLVWWVWQPHZJRR-UHFFFAOYSA-N
XLogP2.73
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 ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1R)-2-phenyl-1-(1,3-thiazol-2-yl)ethanamine
CID 10375649
2-pyridin-2-ylpropan-1-amine
CID 21481533
ethane;1-(1,3-thiazol-2-yl)propan-1-amine
CID 170585159
(1R)-N-(pyridin-2-ylmethyl)-1-(1,3-thiazol-2-yl)ethanamine
CID 95366214
2-(aminomethyl)-4-pyridin-2-ylpentan-1-ol
CID 83929964
(2S)-2-amino-2-(1,3-thiazol-2-yl)ethanol
CID 96733513
3-amino-1-pyridin-2-ylbutan-1-ol
CID 151032283
(3-methylthiophen-2-yl)-pyridin-2-ylmethanamine
CID 79989254
(1S)-1-pyridin-2-ylpropan-1-amine;dihydrochloride
CID 122236499
(3R)-3-pyridin-2-ylbutan-2-amine
CID 140704268
(1R,2S)-1-pyridin-2-ylpropane-1,2-diamine
CID 131142947
2-(1-bromopropan-2-yl)-1,3-thiazole
CID 66470662

Frequently Asked Questions

What is the IUPAC name of 3-pyridin-2-yl-1-(1,3-thiazol-2-yl)butan-1-amine?
The IUPAC name of 3-pyridin-2-yl-1-(1,3-thiazol-2-yl)butan-1-amine (CID 57161839) is 3-pyridin-2-yl-1-(1,3-thiazol-2-yl)butan-1-amine.
What is the SMILES notation for 3-pyridin-2-yl-1-(1,3-thiazol-2-yl)butan-1-amine?
The canonical SMILES for 3-pyridin-2-yl-1-(1,3-thiazol-2-yl)butan-1-amine is CC(CC(N)c1nccs1)c1ccccn1.
What is the InChIKey of 3-pyridin-2-yl-1-(1,3-thiazol-2-yl)butan-1-amine?
The InChIKey is MLVWWVWQPHZJRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3S/c1-9(11-4-2-3-5-14-11)8-10(13)12-15-6-7-16-12/h2-7,9-10H,8,13H2,1H3.
What are the key properties of 3-pyridin-2-yl-1-(1,3-thiazol-2-yl)butan-1-amine?
3-pyridin-2-yl-1-(1,3-thiazol-2-yl)butan-1-amine has a molecular weight of 233.34 g/mol, XLogP of 2.73, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pyridin-2-yl-1-(1,3-thiazol-2-yl)butan-1-amine is sourced from PubChem (CID 57161839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).