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

C11H13N3S — CID 62653588

IUPAC1-(4-pyridin-4-yl-1,3-thiazol-2-yl)propan-2-amine
SMILESCC(N)Cc1nc(-c2ccncc2)cs1
InChIInChI=1S/C11H13N3S/c1-8(12)6-11-14-10(7-15-11)9-2-4-13-5-3-9/h2-5,7-8H,6,12H2,1H3
InChIKeyKCYRQMLOZHEPHA-UHFFFAOYSA-N
MW219.31 g/mol
LogP2.09
Rot. Bonds3

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

1-(4-pyridin-4-yl-1,3-thiazol-2-yl)propan-2-amine (PubChem CID 62653588) has the molecular formula C11H13N3S and a molecular weight of 219.31 g/mol. Its IUPAC name is 1-(4-pyridin-4-yl-1,3-thiazol-2-yl)propan-2-amine.

Molecular Properties

Compound Name1-(4-pyridin-4-yl-1,3-thiazol-2-yl)propan-2-amine
PubChem CID62653588
Molecular FormulaC11H13N3S
Molecular Weight219.31 g/mol
Exact Mass219.08
IUPAC Name1-(4-pyridin-4-yl-1,3-thiazol-2-yl)propan-2-amine
SMILESCC(N)Cc1nc(-c2ccncc2)cs1
InChIInChI=1S/C11H13N3S/c1-8(12)6-11-14-10(7-15-11)9-2-4-13-5-3-9/h2-5,7-8H,6,12H2,1H3
InChIKeyKCYRQMLOZHEPHA-UHFFFAOYSA-N
XLogP2.09
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.31
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-3-(4-pyridin-4-yl-1,3-thiazol-2-yl)propanoic acid
CID 82118920
1-[4-(4-methylsulfonylphenyl)-1,3-thiazol-2-yl]propan-2-amine
CID 62652676
1-[4-(3-methylphenyl)-1,3-thiazol-2-yl]propan-2-amine
CID 62653041
2-(chloromethyl)-4-pyridin-4-yl-1,3-thiazole
CID 14152289
N-[2-(4-pyridin-4-yl-1,3-thiazol-2-yl)ethyl]propan-2-amine
CID 82103288
(4-pyridin-4-yl-1,3-thiazol-2-yl)methylhydrazine
CID 116970238
1-[4-(5-bromothiophen-2-yl)-1,3-thiazol-2-yl]propan-2-amine
CID 62652862
(2R)-2-amino-N-[2-(4-pyridin-4-yl-1,3-thiazol-2-yl)ethyl]propanamide;dihydrochloride
CID 119874734
1-[4-(5-ethylthiophen-2-yl)-1,3-thiazol-2-yl]propan-2-amine
CID 62653042
2,3-dimethyl-4-(4-phenyl-1,3-thiazol-2-yl)butan-1-amine
CID 81010215
3-(4-pyridin-4-yl-1,3-thiazol-2-yl)propane-1-thiol
CID 116968932
4-[2-(pyridin-4-ylmethyl)-1,3-thiazol-4-yl]aniline
CID 62550906

Frequently Asked Questions

What is the IUPAC name of 1-(4-pyridin-4-yl-1,3-thiazol-2-yl)propan-2-amine?
The IUPAC name of 1-(4-pyridin-4-yl-1,3-thiazol-2-yl)propan-2-amine (CID 62653588) is 1-(4-pyridin-4-yl-1,3-thiazol-2-yl)propan-2-amine.
What is the SMILES notation for 1-(4-pyridin-4-yl-1,3-thiazol-2-yl)propan-2-amine?
The canonical SMILES for 1-(4-pyridin-4-yl-1,3-thiazol-2-yl)propan-2-amine is CC(N)Cc1nc(-c2ccncc2)cs1.
What is the InChIKey of 1-(4-pyridin-4-yl-1,3-thiazol-2-yl)propan-2-amine?
The InChIKey is KCYRQMLOZHEPHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3S/c1-8(12)6-11-14-10(7-15-11)9-2-4-13-5-3-9/h2-5,7-8H,6,12H2,1H3.
What are the key properties of 1-(4-pyridin-4-yl-1,3-thiazol-2-yl)propan-2-amine?
1-(4-pyridin-4-yl-1,3-thiazol-2-yl)propan-2-amine has a molecular weight of 219.31 g/mol, XLogP of 2.09, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-pyridin-4-yl-1,3-thiazol-2-yl)propan-2-amine is sourced from PubChem (CID 62653588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).