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

C17H17N3OS — CID 93216544

IUPAC2-[4-(4-methoxyphenyl)-2-pyridin-4-yl-1,3-thiazol-5-yl]ethanamine
SMILESCOc1ccc(-c2nc(-c3ccncc3)sc2CCN)cc1
InChIInChI=1S/C17H17N3OS/c1-21-14-4-2-12(3-5-14)16-15(6-9-18)22-17(20-16)13-7-10-19-11-8-13/h2-5,7-8,10-11H,6,9,18H2,1H3
InChIKeyMYCCCFMKJSNNDS-UHFFFAOYSA-N
MW311.41 g/mol
LogP3.38
Rot. Bonds5

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

2-[4-(4-methoxyphenyl)-2-pyridin-4-yl-1,3-thiazol-5-yl]ethanamine (PubChem CID 93216544) has the molecular formula C17H17N3OS and a molecular weight of 311.41 g/mol. Its IUPAC name is 2-[4-(4-methoxyphenyl)-2-pyridin-4-yl-1,3-thiazol-5-yl]ethanamine.

Molecular Properties

Compound Name2-[4-(4-methoxyphenyl)-2-pyridin-4-yl-1,3-thiazol-5-yl]ethanamine
PubChem CID93216544
Molecular FormulaC17H17N3OS
Molecular Weight311.41 g/mol
Exact Mass311.11
IUPAC Name2-[4-(4-methoxyphenyl)-2-pyridin-4-yl-1,3-thiazol-5-yl]ethanamine
SMILESCOc1ccc(-c2nc(-c3ccncc3)sc2CCN)cc1
InChIInChI=1S/C17H17N3OS/c1-21-14-4-2-12(3-5-14)16-15(6-9-18)22-17(20-16)13-7-10-19-11-8-13/h2-5,7-8,10-11H,6,9,18H2,1H3
InChIKeyMYCCCFMKJSNNDS-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-(4-pyridin-3-yl-2-pyridin-4-yl-1,3-thiazol-5-yl)ethanamine
CID 82069621
2-[2-(3-methoxyphenyl)-4-pyridin-3-yl-1,3-thiazol-5-yl]ethanamine
CID 93216550
2-(2-propan-2-yl-4-pyridin-4-yl-1,3-thiazol-5-yl)ethanamine
CID 82069487
5-(chloromethyl)-2-(4-methoxyphenyl)-4-phenyl-1,3-thiazole
CID 28709905
2-[4-(2-methoxyphenyl)-2-phenyl-1,3-thiazol-5-yl]ethanamine
CID 93216518
2-[4,5-bis(4-methoxyphenyl)-1,3-thiazol-2-yl]ethanamine
CID 19748887
2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]ethanamine;dihydrochloride
CID 71779216
2-(4-phenyl-2-thiophen-3-yl-1,3-thiazol-5-yl)ethanamine
CID 79786144
5-(4-methoxyphenyl)-2-pyridin-4-yl-1,3-thiazole
CID 14531637
2-[4-phenyl-2-(pyridin-4-ylmethyl)-1,3-thiazol-5-yl]ethanamine
CID 79782596
2-[4-(4-methoxyphenyl)-2-(4-phenoxyphenyl)-1,3-thiazol-5-yl]acetic acid
CID 46230235
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-(4-methoxyphenyl)-2-pyridin-4-yl-1,3-thiazol-5-yl]ethanamine?
The IUPAC name of 2-[4-(4-methoxyphenyl)-2-pyridin-4-yl-1,3-thiazol-5-yl]ethanamine (CID 93216544) is 2-[4-(4-methoxyphenyl)-2-pyridin-4-yl-1,3-thiazol-5-yl]ethanamine.
What is the SMILES notation for 2-[4-(4-methoxyphenyl)-2-pyridin-4-yl-1,3-thiazol-5-yl]ethanamine?
The canonical SMILES for 2-[4-(4-methoxyphenyl)-2-pyridin-4-yl-1,3-thiazol-5-yl]ethanamine is COc1ccc(-c2nc(-c3ccncc3)sc2CCN)cc1.
What is the InChIKey of 2-[4-(4-methoxyphenyl)-2-pyridin-4-yl-1,3-thiazol-5-yl]ethanamine?
The InChIKey is MYCCCFMKJSNNDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3OS/c1-21-14-4-2-12(3-5-14)16-15(6-9-18)22-17(20-16)13-7-10-19-11-8-13/h2-5,7-8,10-11H,6,9,18H2,1H3.
What are the key properties of 2-[4-(4-methoxyphenyl)-2-pyridin-4-yl-1,3-thiazol-5-yl]ethanamine?
2-[4-(4-methoxyphenyl)-2-pyridin-4-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-[4-(4-methoxyphenyl)-2-pyridin-4-yl-1,3-thiazol-5-yl]ethanamine is sourced from PubChem (CID 93216544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).