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

C17H17N3OS — CID 93216550

IUPAC2-[2-(3-methoxyphenyl)-4-pyridin-3-yl-1,3-thiazol-5-yl]ethanamine
SMILESCOc1cccc(-c2nc(-c3cccnc3)c(CCN)s2)c1
InChIInChI=1S/C17H17N3OS/c1-21-14-6-2-4-12(10-14)17-20-16(15(22-17)7-8-18)13-5-3-9-19-11-13/h2-6,9-11H,7-8,18H2,1H3
InChIKeyMJOACYFOYSVVRE-UHFFFAOYSA-N
MW311.41 g/mol
LogP3.38
Rot. Bonds5

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

2-[2-(3-methoxyphenyl)-4-pyridin-3-yl-1,3-thiazol-5-yl]ethanamine (PubChem CID 93216550) has the molecular formula C17H17N3OS and a molecular weight of 311.41 g/mol. Its IUPAC name is 2-[2-(3-methoxyphenyl)-4-pyridin-3-yl-1,3-thiazol-5-yl]ethanamine.

Molecular Properties

Compound Name2-[2-(3-methoxyphenyl)-4-pyridin-3-yl-1,3-thiazol-5-yl]ethanamine
PubChem CID93216550
Molecular FormulaC17H17N3OS
Molecular Weight311.41 g/mol
Exact Mass311.11
IUPAC Name2-[2-(3-methoxyphenyl)-4-pyridin-3-yl-1,3-thiazol-5-yl]ethanamine
SMILESCOc1cccc(-c2nc(-c3cccnc3)c(CCN)s2)c1
InChIInChI=1S/C17H17N3OS/c1-21-14-6-2-4-12(10-14)17-20-16(15(22-17)7-8-18)13-5-3-9-19-11-13/h2-6,9-11H,7-8,18H2,1H3
InChIKeyMJOACYFOYSVVRE-UHFFFAOYSA-N
XLogP3.38
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.41
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-(3-methylphenyl)-4-pyridin-3-yl-1,3-thiazol-5-yl]ethanamine
CID 82069588
2-(4-pyridin-3-yl-2-pyridin-4-yl-1,3-thiazol-5-yl)ethanamine
CID 82069621
2-[4-(4-methoxyphenyl)-2-pyridin-4-yl-1,3-thiazol-5-yl]ethanamine
CID 93216544
[4-tert-butyl-2-(3-methoxyphenyl)-1,3-thiazol-5-yl]methanamine
CID 82439181
2-(3-methoxyphenyl)-4-phenyl-N-pyridin-3-yl-1,3-thiazole-5-carboxamide
CID 17409593
2-(3-methoxyphenyl)-4-phenyl-1,3-thiazol-5-amine
CID 71085692
2-[4-(2-methoxyphenyl)-2-phenyl-1,3-thiazol-5-yl]ethanamine
CID 93216518
2-(2,4-dipyridin-3-yl-1,3-thiazol-5-yl)acetic acid
CID 82069424
3-[2-(3-methoxyphenyl)-5-methyl-1H-imidazol-4-yl]pyridine
CID 174519203
2-[2-(3-methoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazol-6-yl]ethanamine
CID 28808717
1-[2-(3-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]propan-2-one
CID 82302253
[2-(3-methoxyphenyl)-3-pyridinyl]methanamine
CID 82508828

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-methoxyphenyl)-4-pyridin-3-yl-1,3-thiazol-5-yl]ethanamine?
The IUPAC name of 2-[2-(3-methoxyphenyl)-4-pyridin-3-yl-1,3-thiazol-5-yl]ethanamine (CID 93216550) is 2-[2-(3-methoxyphenyl)-4-pyridin-3-yl-1,3-thiazol-5-yl]ethanamine.
What is the SMILES notation for 2-[2-(3-methoxyphenyl)-4-pyridin-3-yl-1,3-thiazol-5-yl]ethanamine?
The canonical SMILES for 2-[2-(3-methoxyphenyl)-4-pyridin-3-yl-1,3-thiazol-5-yl]ethanamine is COc1cccc(-c2nc(-c3cccnc3)c(CCN)s2)c1.
What is the InChIKey of 2-[2-(3-methoxyphenyl)-4-pyridin-3-yl-1,3-thiazol-5-yl]ethanamine?
The InChIKey is MJOACYFOYSVVRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3OS/c1-21-14-6-2-4-12(10-14)17-20-16(15(22-17)7-8-18)13-5-3-9-19-11-13/h2-6,9-11H,7-8,18H2,1H3.
What are the key properties of 2-[2-(3-methoxyphenyl)-4-pyridin-3-yl-1,3-thiazol-5-yl]ethanamine?
2-[2-(3-methoxyphenyl)-4-pyridin-3-yl-1,3-thiazol-5-yl]ethanamine has a molecular weight of 311.41 g/mol, XLogP of 3.38, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-methoxyphenyl)-4-pyridin-3-yl-1,3-thiazol-5-yl]ethanamine is sourced from PubChem (CID 93216550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).