N-[[2-(4-methoxyphenyl)-1,3-thiazol-5-yl]methyl]-2-(trifluoromethyl)pyridin-4-amine

C17H14F3N3OS — CID 177379302

IUPACN-[[2-(4-methoxyphenyl)-1,3-thiazol-5-yl]methyl]-2-(trifluoromethyl)pyridin-4-amine
SMILESCOc1ccc(-c2ncc(CNc3ccnc(C(F)(F)F)c3)s2)cc1
InChIInChI=1S/C17H14F3N3OS/c1-24-13-4-2-11(3-5-13)16-23-10-14(25-16)9-22-12-6-7-21-15(8-12)17(18,19)20/h2-8,10H,9H2,1H3,(H,21,22)
InChIKeyHGQCEMWNBHBLTG-UHFFFAOYSA-N
MW365.38 g/mol
LogP4.84
Rot. Bonds5

About N-[[2-(4-methoxyphenyl)-1,3-thiazol-5-yl]methyl]-2-(trifluoromethyl)pyridin-4-amine

N-[[2-(4-methoxyphenyl)-1,3-thiazol-5-yl]methyl]-2-(trifluoromethyl)pyridin-4-amine (PubChem CID 177379302) has the molecular formula C17H14F3N3OS and a molecular weight of 365.38 g/mol. Its IUPAC name is N-[[2-(4-methoxyphenyl)-1,3-thiazol-5-yl]methyl]-2-(trifluoromethyl)pyridin-4-amine.

Molecular Properties

Compound NameN-[[2-(4-methoxyphenyl)-1,3-thiazol-5-yl]methyl]-2-(trifluoromethyl)pyridin-4-amine
PubChem CID177379302
Molecular FormulaC17H14F3N3OS
Molecular Weight365.38 g/mol
Exact Mass365.08
IUPAC NameN-[[2-(4-methoxyphenyl)-1,3-thiazol-5-yl]methyl]-2-(trifluoromethyl)pyridin-4-amine
SMILESCOc1ccc(-c2ncc(CNc3ccnc(C(F)(F)F)c3)s2)cc1
InChIInChI=1S/C17H14F3N3OS/c1-24-13-4-2-11(3-5-13)16-23-10-14(25-16)9-22-12-6-7-21-15(8-12)17(18,19)20/h2-8,10H,9H2,1H3,(H,21,22)
InChIKeyHGQCEMWNBHBLTG-UHFFFAOYSA-N
XLogP4.84
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.38
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[2-(4-methoxyphenyl)-1,3-thiazol-5-yl]methyl]-2-(trifluoromethyl)pyridin-4-amine?
The IUPAC name of N-[[2-(4-methoxyphenyl)-1,3-thiazol-5-yl]methyl]-2-(trifluoromethyl)pyridin-4-amine (CID 177379302) is N-[[2-(4-methoxyphenyl)-1,3-thiazol-5-yl]methyl]-2-(trifluoromethyl)pyridin-4-amine.
What is the SMILES notation for N-[[2-(4-methoxyphenyl)-1,3-thiazol-5-yl]methyl]-2-(trifluoromethyl)pyridin-4-amine?
The canonical SMILES for N-[[2-(4-methoxyphenyl)-1,3-thiazol-5-yl]methyl]-2-(trifluoromethyl)pyridin-4-amine is COc1ccc(-c2ncc(CNc3ccnc(C(F)(F)F)c3)s2)cc1.
What is the InChIKey of N-[[2-(4-methoxyphenyl)-1,3-thiazol-5-yl]methyl]-2-(trifluoromethyl)pyridin-4-amine?
The InChIKey is HGQCEMWNBHBLTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F3N3OS/c1-24-13-4-2-11(3-5-13)16-23-10-14(25-16)9-22-12-6-7-21-15(8-12)17(18,19)20/h2-8,10H,9H2,1H3,(H,21,22).
What are the key properties of N-[[2-(4-methoxyphenyl)-1,3-thiazol-5-yl]methyl]-2-(trifluoromethyl)pyridin-4-amine?
N-[[2-(4-methoxyphenyl)-1,3-thiazol-5-yl]methyl]-2-(trifluoromethyl)pyridin-4-amine has a molecular weight of 365.38 g/mol, XLogP of 4.84, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(4-methoxyphenyl)-1,3-thiazol-5-yl]methyl]-2-(trifluoromethyl)pyridin-4-amine is sourced from PubChem (CID 177379302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).