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

C13H17N3S — CID 82542977

IUPAC3-(2-methyl-4-pyridin-2-yl-1,3-thiazol-5-yl)butan-1-amine
SMILESCc1nc(-c2ccccn2)c(C(C)CCN)s1
InChIInChI=1S/C13H17N3S/c1-9(6-7-14)13-12(16-10(2)17-13)11-5-3-4-8-15-11/h3-5,8-9H,6-7,14H2,1-2H3
InChIKeyJJYWYRWEDHINMG-UHFFFAOYSA-N
MW247.37 g/mol
LogP2.97
Rot. Bonds4

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

3-(2-methyl-4-pyridin-2-yl-1,3-thiazol-5-yl)butan-1-amine (PubChem CID 82542977) has the molecular formula C13H17N3S and a molecular weight of 247.37 g/mol. Its IUPAC name is 3-(2-methyl-4-pyridin-2-yl-1,3-thiazol-5-yl)butan-1-amine.

Molecular Properties

Compound Name3-(2-methyl-4-pyridin-2-yl-1,3-thiazol-5-yl)butan-1-amine
PubChem CID82542977
Molecular FormulaC13H17N3S
Molecular Weight247.37 g/mol
Exact Mass247.11
IUPAC Name3-(2-methyl-4-pyridin-2-yl-1,3-thiazol-5-yl)butan-1-amine
SMILESCc1nc(-c2ccccn2)c(C(C)CCN)s1
InChIInChI=1S/C13H17N3S/c1-9(6-7-14)13-12(16-10(2)17-13)11-5-3-4-8-15-11/h3-5,8-9H,6-7,14H2,1-2H3
InChIKeyJJYWYRWEDHINMG-UHFFFAOYSA-N
XLogP2.97
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.37
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-1-(2-methyl-4-pyridin-2-yl-1,3-thiazol-5-yl)ethanamine
CID 82540658
3-(4-pyridin-2-yl-1,3-thiazol-2-yl)butan-1-amine
CID 116965066
2-methyl-5-pyridin-2-yl-1,3-thiazol-4-amine
CID 82373528
3-[4-methyl-2-(2-methylphenyl)-1,3-thiazol-5-yl]butan-1-amine
CID 116884799
2-(2-methyl-6-pyridin-2-ylpyrimidin-4-yl)ethanamine
CID 83849082
(4-methyl-5-pyridin-2-yl-1,3-thiazol-2-yl)methanamine
CID 39240932
5-(4-aminobutan-2-yl)-4-(2-methoxyphenyl)-N-methyl-1,3-thiazol-2-amine
CID 82542709
N-(2-methylpropyl)-3-pyridin-2-yl-1,2,4-thiadiazol-5-amine
CID 65268791
(5-propan-2-yl-3-pyridin-2-yl-1H-pyrazol-4-yl)methanamine
CID 121212109
3-N-methyl-3-N-pyridin-2-ylbutane-1,3-diamine
CID 63225574
(4-pyridin-2-ylpyrimidin-5-yl)methanamine
CID 83697190
3-(4-methyl-2-thiophen-2-yl-1,3-thiazol-5-yl)butan-1-amine
CID 116884789

Frequently Asked Questions

What is the IUPAC name of 3-(2-methyl-4-pyridin-2-yl-1,3-thiazol-5-yl)butan-1-amine?
The IUPAC name of 3-(2-methyl-4-pyridin-2-yl-1,3-thiazol-5-yl)butan-1-amine (CID 82542977) is 3-(2-methyl-4-pyridin-2-yl-1,3-thiazol-5-yl)butan-1-amine.
What is the SMILES notation for 3-(2-methyl-4-pyridin-2-yl-1,3-thiazol-5-yl)butan-1-amine?
The canonical SMILES for 3-(2-methyl-4-pyridin-2-yl-1,3-thiazol-5-yl)butan-1-amine is Cc1nc(-c2ccccn2)c(C(C)CCN)s1.
What is the InChIKey of 3-(2-methyl-4-pyridin-2-yl-1,3-thiazol-5-yl)butan-1-amine?
The InChIKey is JJYWYRWEDHINMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3S/c1-9(6-7-14)13-12(16-10(2)17-13)11-5-3-4-8-15-11/h3-5,8-9H,6-7,14H2,1-2H3.
What are the key properties of 3-(2-methyl-4-pyridin-2-yl-1,3-thiazol-5-yl)butan-1-amine?
3-(2-methyl-4-pyridin-2-yl-1,3-thiazol-5-yl)butan-1-amine has a molecular weight of 247.37 g/mol, XLogP of 2.97, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methyl-4-pyridin-2-yl-1,3-thiazol-5-yl)butan-1-amine is sourced from PubChem (CID 82542977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).