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

C16H10ClFN4OS — CID 18459919

IUPAC6-chloro-N-[(4-fluorophenyl)methyl]-2-(1,2-oxazol-5-yl)thieno[2,3-d]pyrimidin-4-amine
SMILESFc1ccc(CNc2nc(-c3ccno3)nc3sc(Cl)cc23)cc1
InChIInChI=1S/C16H10ClFN4OS/c17-13-7-11-14(19-8-9-1-3-10(18)4-2-9)21-15(22-16(11)24-13)12-5-6-20-23-12/h1-7H,8H2,(H,19,21,22)
InChIKeyAWACELGKPLJWNL-UHFFFAOYSA-N
MW360.80 g/mol
LogP4.75
Rot. Bonds4

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

6-chloro-N-[(4-fluorophenyl)methyl]-2-(1,2-oxazol-5-yl)thieno[2,3-d]pyrimidin-4-amine (PubChem CID 18459919) has the molecular formula C16H10ClFN4OS and a molecular weight of 360.80 g/mol. Its IUPAC name is 6-chloro-N-[(4-fluorophenyl)methyl]-2-(1,2-oxazol-5-yl)thieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-N-[(4-fluorophenyl)methyl]-2-(1,2-oxazol-5-yl)thieno[2,3-d]pyrimidin-4-amine
PubChem CID18459919
Molecular FormulaC16H10ClFN4OS
Molecular Weight360.80 g/mol
Exact Mass360.02
IUPAC Name6-chloro-N-[(4-fluorophenyl)methyl]-2-(1,2-oxazol-5-yl)thieno[2,3-d]pyrimidin-4-amine
SMILESFc1ccc(CNc2nc(-c3ccno3)nc3sc(Cl)cc23)cc1
InChIInChI=1S/C16H10ClFN4OS/c17-13-7-11-14(19-8-9-1-3-10(18)4-2-9)21-15(22-16(11)24-13)12-5-6-20-23-12/h1-7H,8H2,(H,19,21,22)
InChIKeyAWACELGKPLJWNL-UHFFFAOYSA-N
XLogP4.75
TPSA63.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.80
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[(4-fluorophenyl)methyl]-2-(1,2-oxazol-5-yl)thieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of 6-chloro-N-[(4-fluorophenyl)methyl]-2-(1,2-oxazol-5-yl)thieno[2,3-d]pyrimidin-4-amine (CID 18459919) is 6-chloro-N-[(4-fluorophenyl)methyl]-2-(1,2-oxazol-5-yl)thieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 6-chloro-N-[(4-fluorophenyl)methyl]-2-(1,2-oxazol-5-yl)thieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 6-chloro-N-[(4-fluorophenyl)methyl]-2-(1,2-oxazol-5-yl)thieno[2,3-d]pyrimidin-4-amine is Fc1ccc(CNc2nc(-c3ccno3)nc3sc(Cl)cc23)cc1.
What is the InChIKey of 6-chloro-N-[(4-fluorophenyl)methyl]-2-(1,2-oxazol-5-yl)thieno[2,3-d]pyrimidin-4-amine?
The InChIKey is AWACELGKPLJWNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10ClFN4OS/c17-13-7-11-14(19-8-9-1-3-10(18)4-2-9)21-15(22-16(11)24-13)12-5-6-20-23-12/h1-7H,8H2,(H,19,21,22).
What are the key properties of 6-chloro-N-[(4-fluorophenyl)methyl]-2-(1,2-oxazol-5-yl)thieno[2,3-d]pyrimidin-4-amine?
6-chloro-N-[(4-fluorophenyl)methyl]-2-(1,2-oxazol-5-yl)thieno[2,3-d]pyrimidin-4-amine has a molecular weight of 360.80 g/mol, XLogP of 4.75, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[(4-fluorophenyl)methyl]-2-(1,2-oxazol-5-yl)thieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 18459919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).