2-[2-(3-methylphenyl)-4-pyridin-3-yl-1,3-thiazol-5-yl]ethanamine

C17H17N3S — CID 82069588

IUPAC2-[2-(3-methylphenyl)-4-pyridin-3-yl-1,3-thiazol-5-yl]ethanamine
SMILESCc1cccc(-c2nc(-c3cccnc3)c(CCN)s2)c1
InChIInChI=1S/C17H17N3S/c1-12-4-2-5-13(10-12)17-20-16(15(21-17)7-8-18)14-6-3-9-19-11-14/h2-6,9-11H,7-8,18H2,1H3
InChIKeyVPPILXUSCNEIEI-UHFFFAOYSA-N
MW295.41 g/mol
LogP3.68
Rot. Bonds4

About 2-[2-(3-methylphenyl)-4-pyridin-3-yl-1,3-thiazol-5-yl]ethanamine

2-[2-(3-methylphenyl)-4-pyridin-3-yl-1,3-thiazol-5-yl]ethanamine (PubChem CID 82069588) has the molecular formula C17H17N3S and a molecular weight of 295.41 g/mol. Its IUPAC name is 2-[2-(3-methylphenyl)-4-pyridin-3-yl-1,3-thiazol-5-yl]ethanamine.

Molecular Properties

Compound Name2-[2-(3-methylphenyl)-4-pyridin-3-yl-1,3-thiazol-5-yl]ethanamine
PubChem CID82069588
Molecular FormulaC17H17N3S
Molecular Weight295.41 g/mol
Exact Mass295.11
IUPAC Name2-[2-(3-methylphenyl)-4-pyridin-3-yl-1,3-thiazol-5-yl]ethanamine
SMILESCc1cccc(-c2nc(-c3cccnc3)c(CCN)s2)c1
InChIInChI=1S/C17H17N3S/c1-12-4-2-5-13(10-12)17-20-16(15(21-17)7-8-18)14-6-3-9-19-11-14/h2-6,9-11H,7-8,18H2,1H3
InChIKeyVPPILXUSCNEIEI-UHFFFAOYSA-N
XLogP3.68
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.41
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(3-methoxyphenyl)-4-pyridin-3-yl-1,3-thiazol-5-yl]ethanamine
CID 93216550
2-(4-pyridin-3-yl-2-pyridin-4-yl-1,3-thiazol-5-yl)ethanamine
CID 82069621
2-(2,4-dipyridin-3-yl-1,3-thiazol-5-yl)acetic acid
CID 82069424
N-methyl-1-[2-(3-methylphenyl)-4-phenyl-1,3-thiazol-5-yl]methanamine
CID 81178171
[2-(3-methylphenyl)-6-pyridin-3-ylimidazo[2,1-b][1,3,4]thiadiazol-5-yl]methanol
CID 94961602
methylidenephosphane;3-(3-methylphenyl)pyridine
CID 144875841
2-[5-methyl-4-(3-methylphenyl)-1,3-thiazol-2-yl]ethanamine
CID 82106276
ethylphosphane;3-(3-methylphenyl)pyridine
CID 144632052
2-(4-methyl-5-pyridin-3-yl-1,3-thiazol-2-yl)ethanamine
CID 39244014
O-[2-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)ethyl]hydroxylamine
CID 143129382
2-[4-(4-methoxyphenyl)-2-pyridin-4-yl-1,3-thiazol-5-yl]ethanamine
CID 93216544
2-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)acetamide
CID 23467885

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-methylphenyl)-4-pyridin-3-yl-1,3-thiazol-5-yl]ethanamine?
The IUPAC name of 2-[2-(3-methylphenyl)-4-pyridin-3-yl-1,3-thiazol-5-yl]ethanamine (CID 82069588) is 2-[2-(3-methylphenyl)-4-pyridin-3-yl-1,3-thiazol-5-yl]ethanamine.
What is the SMILES notation for 2-[2-(3-methylphenyl)-4-pyridin-3-yl-1,3-thiazol-5-yl]ethanamine?
The canonical SMILES for 2-[2-(3-methylphenyl)-4-pyridin-3-yl-1,3-thiazol-5-yl]ethanamine is Cc1cccc(-c2nc(-c3cccnc3)c(CCN)s2)c1.
What is the InChIKey of 2-[2-(3-methylphenyl)-4-pyridin-3-yl-1,3-thiazol-5-yl]ethanamine?
The InChIKey is VPPILXUSCNEIEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3S/c1-12-4-2-5-13(10-12)17-20-16(15(21-17)7-8-18)14-6-3-9-19-11-14/h2-6,9-11H,7-8,18H2,1H3.
What are the key properties of 2-[2-(3-methylphenyl)-4-pyridin-3-yl-1,3-thiazol-5-yl]ethanamine?
2-[2-(3-methylphenyl)-4-pyridin-3-yl-1,3-thiazol-5-yl]ethanamine has a molecular weight of 295.41 g/mol, XLogP of 3.68, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-methylphenyl)-4-pyridin-3-yl-1,3-thiazol-5-yl]ethanamine is sourced from PubChem (CID 82069588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).