2-chloro-N-[[2-(3-chloro-4-propan-2-yloxyphenyl)-1,3-thiazol-5-yl]methyl]-6-(trifluoromethyl)pyridin-4-amine

C19H16Cl2F3N3OS — CID 146291323

IUPAC2-chloro-N-[[2-(3-chloro-4-propan-2-yloxyphenyl)-1,3-thiazol-5-yl]methyl]-6-(trifluoromethyl)pyridin-4-amine
SMILESCC(C)Oc1ccc(-c2ncc(CNc3cc(Cl)nc(C(F)(F)F)c3)s2)cc1Cl
InChIInChI=1S/C19H16Cl2F3N3OS/c1-10(2)28-15-4-3-11(5-14(15)20)18-26-9-13(29-18)8-25-12-6-16(19(22,23)24)27-17(21)7-12/h3-7,9-10H,8H2,1-2H3,(H,25,27)
InChIKeyHCGOMSDDBIEIOD-UHFFFAOYSA-N
MW462.32 g/mol
LogP6.93
Rot. Bonds6

About 2-chloro-N-[[2-(3-chloro-4-propan-2-yloxyphenyl)-1,3-thiazol-5-yl]methyl]-6-(trifluoromethyl)pyridin-4-amine

2-chloro-N-[[2-(3-chloro-4-propan-2-yloxyphenyl)-1,3-thiazol-5-yl]methyl]-6-(trifluoromethyl)pyridin-4-amine (PubChem CID 146291323) has the molecular formula C19H16Cl2F3N3OS and a molecular weight of 462.32 g/mol. Its IUPAC name is 2-chloro-N-[[2-(3-chloro-4-propan-2-yloxyphenyl)-1,3-thiazol-5-yl]methyl]-6-(trifluoromethyl)pyridin-4-amine.

Molecular Properties

Compound Name2-chloro-N-[[2-(3-chloro-4-propan-2-yloxyphenyl)-1,3-thiazol-5-yl]methyl]-6-(trifluoromethyl)pyridin-4-amine
PubChem CID146291323
Molecular FormulaC19H16Cl2F3N3OS
Molecular Weight462.32 g/mol
Exact Mass461.03
IUPAC Name2-chloro-N-[[2-(3-chloro-4-propan-2-yloxyphenyl)-1,3-thiazol-5-yl]methyl]-6-(trifluoromethyl)pyridin-4-amine
SMILESCC(C)Oc1ccc(-c2ncc(CNc3cc(Cl)nc(C(F)(F)F)c3)s2)cc1Cl
InChIInChI=1S/C19H16Cl2F3N3OS/c1-10(2)28-15-4-3-11(5-14(15)20)18-26-9-13(29-18)8-25-12-6-16(19(22,23)24)27-17(21)7-12/h3-7,9-10H,8H2,1-2H3,(H,25,27)
InChIKeyHCGOMSDDBIEIOD-UHFFFAOYSA-N
XLogP6.93
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500462.32
LogP ≤ 56.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[[2-(3-chloro-4-propan-2-yloxyphenyl)-1,3-thiazol-5-yl]methyl]-6-(trifluoromethyl)pyridin-4-amine?
The IUPAC name of 2-chloro-N-[[2-(3-chloro-4-propan-2-yloxyphenyl)-1,3-thiazol-5-yl]methyl]-6-(trifluoromethyl)pyridin-4-amine (CID 146291323) is 2-chloro-N-[[2-(3-chloro-4-propan-2-yloxyphenyl)-1,3-thiazol-5-yl]methyl]-6-(trifluoromethyl)pyridin-4-amine.
What is the SMILES notation for 2-chloro-N-[[2-(3-chloro-4-propan-2-yloxyphenyl)-1,3-thiazol-5-yl]methyl]-6-(trifluoromethyl)pyridin-4-amine?
The canonical SMILES for 2-chloro-N-[[2-(3-chloro-4-propan-2-yloxyphenyl)-1,3-thiazol-5-yl]methyl]-6-(trifluoromethyl)pyridin-4-amine is CC(C)Oc1ccc(-c2ncc(CNc3cc(Cl)nc(C(F)(F)F)c3)s2)cc1Cl.
What is the InChIKey of 2-chloro-N-[[2-(3-chloro-4-propan-2-yloxyphenyl)-1,3-thiazol-5-yl]methyl]-6-(trifluoromethyl)pyridin-4-amine?
The InChIKey is HCGOMSDDBIEIOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16Cl2F3N3OS/c1-10(2)28-15-4-3-11(5-14(15)20)18-26-9-13(29-18)8-25-12-6-16(19(22,23)24)27-17(21)7-12/h3-7,9-10H,8H2,1-2H3,(H,25,27).
What are the key properties of 2-chloro-N-[[2-(3-chloro-4-propan-2-yloxyphenyl)-1,3-thiazol-5-yl]methyl]-6-(trifluoromethyl)pyridin-4-amine?
2-chloro-N-[[2-(3-chloro-4-propan-2-yloxyphenyl)-1,3-thiazol-5-yl]methyl]-6-(trifluoromethyl)pyridin-4-amine has a molecular weight of 462.32 g/mol, XLogP of 6.93, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[[2-(3-chloro-4-propan-2-yloxyphenyl)-1,3-thiazol-5-yl]methyl]-6-(trifluoromethyl)pyridin-4-amine is sourced from PubChem (CID 146291323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).