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

C11H13N3S — CID 39244014

IUPAC2-(4-methyl-5-pyridin-3-yl-1,3-thiazol-2-yl)ethanamine
SMILESCc1nc(CCN)sc1-c1cccnc1
InChIInChI=1S/C11H13N3S/c1-8-11(9-3-2-6-13-7-9)15-10(14-8)4-5-12/h2-3,6-7H,4-5,12H2,1H3
InChIKeyMYSCTFCQIRLYAE-UHFFFAOYSA-N
MW219.31 g/mol
LogP2.01
Rot. Bonds3

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

2-(4-methyl-5-pyridin-3-yl-1,3-thiazol-2-yl)ethanamine (PubChem CID 39244014) has the molecular formula C11H13N3S and a molecular weight of 219.31 g/mol. Its IUPAC name is 2-(4-methyl-5-pyridin-3-yl-1,3-thiazol-2-yl)ethanamine.

Molecular Properties

Compound Name2-(4-methyl-5-pyridin-3-yl-1,3-thiazol-2-yl)ethanamine
PubChem CID39244014
Molecular FormulaC11H13N3S
Molecular Weight219.31 g/mol
Exact Mass219.08
IUPAC Name2-(4-methyl-5-pyridin-3-yl-1,3-thiazol-2-yl)ethanamine
SMILESCc1nc(CCN)sc1-c1cccnc1
InChIInChI=1S/C11H13N3S/c1-8-11(9-3-2-6-13-7-9)15-10(14-8)4-5-12/h2-3,6-7H,4-5,12H2,1H3
InChIKeyMYSCTFCQIRLYAE-UHFFFAOYSA-N
XLogP2.01
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 ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[5-(4-chlorophenyl)-4-methyl-1,3-thiazol-2-yl]ethanamine
CID 39356185
4-methyl-5-pyridin-3-yl-1,3-thiazole-2-carbonitrile
CID 165447959
2-(4-pyridin-3-yl-1,3-thiazol-2-yl)ethanamine
CID 24690096
N-(4-methyl-5-pyridin-3-yl-1,3-thiazol-2-yl)methanesulfonamide
CID 110665959
(5-methyl-4-pyridin-3-yl-1,3-thiazol-2-yl)methanamine
CID 82106363
2-(aminomethyl)-5-pyridin-3-yl-1,3-thiazole-4-carbonitrile
CID 82471501
2-(chloromethyl)-4-methyl-5-phenyl-1,3-thiazole
CID 114987484
3-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)aniline
CID 116885240
[4-methyl-2-(pyridin-3-ylmethyl)-1,3-thiazol-5-yl]methanamine
CID 62551037
O-[2-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)ethyl]hydroxylamine
CID 143129382
3-(4-methyl-2-propyl-1,3-thiazol-5-yl)aniline
CID 116885231
2-[2-(3-methylphenyl)-4-pyridin-3-yl-1,3-thiazol-5-yl]ethanamine
CID 82069588

Frequently Asked Questions

What is the IUPAC name of 2-(4-methyl-5-pyridin-3-yl-1,3-thiazol-2-yl)ethanamine?
The IUPAC name of 2-(4-methyl-5-pyridin-3-yl-1,3-thiazol-2-yl)ethanamine (CID 39244014) is 2-(4-methyl-5-pyridin-3-yl-1,3-thiazol-2-yl)ethanamine.
What is the SMILES notation for 2-(4-methyl-5-pyridin-3-yl-1,3-thiazol-2-yl)ethanamine?
The canonical SMILES for 2-(4-methyl-5-pyridin-3-yl-1,3-thiazol-2-yl)ethanamine is Cc1nc(CCN)sc1-c1cccnc1.
What is the InChIKey of 2-(4-methyl-5-pyridin-3-yl-1,3-thiazol-2-yl)ethanamine?
The InChIKey is MYSCTFCQIRLYAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3S/c1-8-11(9-3-2-6-13-7-9)15-10(14-8)4-5-12/h2-3,6-7H,4-5,12H2,1H3.
What are the key properties of 2-(4-methyl-5-pyridin-3-yl-1,3-thiazol-2-yl)ethanamine?
2-(4-methyl-5-pyridin-3-yl-1,3-thiazol-2-yl)ethanamine has a molecular weight of 219.31 g/mol, XLogP of 2.01, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methyl-5-pyridin-3-yl-1,3-thiazol-2-yl)ethanamine is sourced from PubChem (CID 39244014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).