N-[(3,4-dichlorophenyl)methyl]-2-(1,2-oxazol-5-yl)-6-(trifluoromethyl)thieno[2,3-d]pyrimidin-4-amine

C17H9Cl2F3N4OS — CID 18460252

IUPACN-[(3,4-dichlorophenyl)methyl]-2-(1,2-oxazol-5-yl)-6-(trifluoromethyl)thieno[2,3-d]pyrimidin-4-amine
SMILESFC(F)(F)c1cc2c(NCc3ccc(Cl)c(Cl)c3)nc(-c3ccno3)nc2s1
InChIInChI=1S/C17H9Cl2F3N4OS/c18-10-2-1-8(5-11(10)19)7-23-14-9-6-13(17(20,21)22)28-16(9)26-15(25-14)12-3-4-24-27-12/h1-6H,7H2,(H,23,25,26)
InChIKeyVKVWPPDRZHOAQB-UHFFFAOYSA-N
MW445.25 g/mol
LogP6.28
Rot. Bonds4

About N-[(3,4-dichlorophenyl)methyl]-2-(1,2-oxazol-5-yl)-6-(trifluoromethyl)thieno[2,3-d]pyrimidin-4-amine

N-[(3,4-dichlorophenyl)methyl]-2-(1,2-oxazol-5-yl)-6-(trifluoromethyl)thieno[2,3-d]pyrimidin-4-amine (PubChem CID 18460252) has the molecular formula C17H9Cl2F3N4OS and a molecular weight of 445.25 g/mol. Its IUPAC name is N-[(3,4-dichlorophenyl)methyl]-2-(1,2-oxazol-5-yl)-6-(trifluoromethyl)thieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-[(3,4-dichlorophenyl)methyl]-2-(1,2-oxazol-5-yl)-6-(trifluoromethyl)thieno[2,3-d]pyrimidin-4-amine
PubChem CID18460252
Molecular FormulaC17H9Cl2F3N4OS
Molecular Weight445.25 g/mol
Exact Mass443.98
IUPAC NameN-[(3,4-dichlorophenyl)methyl]-2-(1,2-oxazol-5-yl)-6-(trifluoromethyl)thieno[2,3-d]pyrimidin-4-amine
SMILESFC(F)(F)c1cc2c(NCc3ccc(Cl)c(Cl)c3)nc(-c3ccno3)nc2s1
InChIInChI=1S/C17H9Cl2F3N4OS/c18-10-2-1-8(5-11(10)19)7-23-14-9-6-13(17(20,21)22)28-16(9)26-15(25-14)12-3-4-24-27-12/h1-6H,7H2,(H,23,25,26)
InChIKeyVKVWPPDRZHOAQB-UHFFFAOYSA-N
XLogP6.28
TPSA63.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500445.25
LogP ≤ 56.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[(3,4-dichlorophenyl)methyl]-2-(1,2-oxazol-5-yl)-6-(trifluoromethyl)thieno[2,3-d]pyrimidin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(3,4-dichlorophenyl)methyl]-2-(1,2-oxazol-5-yl)-6-(trifluoromethyl)thieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of N-[(3,4-dichlorophenyl)methyl]-2-(1,2-oxazol-5-yl)-6-(trifluoromethyl)thieno[2,3-d]pyrimidin-4-amine (CID 18460252) is N-[(3,4-dichlorophenyl)methyl]-2-(1,2-oxazol-5-yl)-6-(trifluoromethyl)thieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for N-[(3,4-dichlorophenyl)methyl]-2-(1,2-oxazol-5-yl)-6-(trifluoromethyl)thieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for N-[(3,4-dichlorophenyl)methyl]-2-(1,2-oxazol-5-yl)-6-(trifluoromethyl)thieno[2,3-d]pyrimidin-4-amine is FC(F)(F)c1cc2c(NCc3ccc(Cl)c(Cl)c3)nc(-c3ccno3)nc2s1.
What is the InChIKey of N-[(3,4-dichlorophenyl)methyl]-2-(1,2-oxazol-5-yl)-6-(trifluoromethyl)thieno[2,3-d]pyrimidin-4-amine?
The InChIKey is VKVWPPDRZHOAQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H9Cl2F3N4OS/c18-10-2-1-8(5-11(10)19)7-23-14-9-6-13(17(20,21)22)28-16(9)26-15(25-14)12-3-4-24-27-12/h1-6H,7H2,(H,23,25,26).
What are the key properties of N-[(3,4-dichlorophenyl)methyl]-2-(1,2-oxazol-5-yl)-6-(trifluoromethyl)thieno[2,3-d]pyrimidin-4-amine?
N-[(3,4-dichlorophenyl)methyl]-2-(1,2-oxazol-5-yl)-6-(trifluoromethyl)thieno[2,3-d]pyrimidin-4-amine has a molecular weight of 445.25 g/mol, XLogP of 6.28, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-dichlorophenyl)methyl]-2-(1,2-oxazol-5-yl)-6-(trifluoromethyl)thieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 18460252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).