6-[(2-fluorophenyl)methyl]-2-(4-methyl-1,3-thiazol-2-yl)thieno[2,3-d]pyrimidin-4-amine

C17H13FN4S2 — CID 71602961

IUPAC6-[(2-fluorophenyl)methyl]-2-(4-methyl-1,3-thiazol-2-yl)thieno[2,3-d]pyrimidin-4-amine
SMILESCc1csc(-c2nc(N)c3cc(Cc4ccccc4F)sc3n2)n1
InChIInChI=1S/C17H13FN4S2/c1-9-8-23-17(20-9)15-21-14(19)12-7-11(24-16(12)22-15)6-10-4-2-3-5-13(10)18/h2-5,7-8H,6H2,1H3,(H2,19,21,22)
InChIKeyDFNCCBYZMPHKDD-UHFFFAOYSA-N
MW356.45 g/mol
LogP4.44
Rot. Bonds3

About 6-[(2-fluorophenyl)methyl]-2-(4-methyl-1,3-thiazol-2-yl)thieno[2,3-d]pyrimidin-4-amine

6-[(2-fluorophenyl)methyl]-2-(4-methyl-1,3-thiazol-2-yl)thieno[2,3-d]pyrimidin-4-amine (PubChem CID 71602961) has the molecular formula C17H13FN4S2 and a molecular weight of 356.45 g/mol. Its IUPAC name is 6-[(2-fluorophenyl)methyl]-2-(4-methyl-1,3-thiazol-2-yl)thieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name6-[(2-fluorophenyl)methyl]-2-(4-methyl-1,3-thiazol-2-yl)thieno[2,3-d]pyrimidin-4-amine
PubChem CID71602961
Molecular FormulaC17H13FN4S2
Molecular Weight356.45 g/mol
Exact Mass356.06
IUPAC Name6-[(2-fluorophenyl)methyl]-2-(4-methyl-1,3-thiazol-2-yl)thieno[2,3-d]pyrimidin-4-amine
SMILESCc1csc(-c2nc(N)c3cc(Cc4ccccc4F)sc3n2)n1
InChIInChI=1S/C17H13FN4S2/c1-9-8-23-17(20-9)15-21-14(19)12-7-11(24-16(12)22-15)6-10-4-2-3-5-13(10)18/h2-5,7-8H,6H2,1H3,(H2,19,21,22)
InChIKeyDFNCCBYZMPHKDD-UHFFFAOYSA-N
XLogP4.44
TPSA64.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.45
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-[(2-fluorophenyl)methyl]-2-(4-methyl-1,3-thiazol-2-yl)thieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of 6-[(2-fluorophenyl)methyl]-2-(4-methyl-1,3-thiazol-2-yl)thieno[2,3-d]pyrimidin-4-amine (CID 71602961) is 6-[(2-fluorophenyl)methyl]-2-(4-methyl-1,3-thiazol-2-yl)thieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 6-[(2-fluorophenyl)methyl]-2-(4-methyl-1,3-thiazol-2-yl)thieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 6-[(2-fluorophenyl)methyl]-2-(4-methyl-1,3-thiazol-2-yl)thieno[2,3-d]pyrimidin-4-amine is Cc1csc(-c2nc(N)c3cc(Cc4ccccc4F)sc3n2)n1.
What is the InChIKey of 6-[(2-fluorophenyl)methyl]-2-(4-methyl-1,3-thiazol-2-yl)thieno[2,3-d]pyrimidin-4-amine?
The InChIKey is DFNCCBYZMPHKDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13FN4S2/c1-9-8-23-17(20-9)15-21-14(19)12-7-11(24-16(12)22-15)6-10-4-2-3-5-13(10)18/h2-5,7-8H,6H2,1H3,(H2,19,21,22).
What are the key properties of 6-[(2-fluorophenyl)methyl]-2-(4-methyl-1,3-thiazol-2-yl)thieno[2,3-d]pyrimidin-4-amine?
6-[(2-fluorophenyl)methyl]-2-(4-methyl-1,3-thiazol-2-yl)thieno[2,3-d]pyrimidin-4-amine has a molecular weight of 356.45 g/mol, XLogP of 4.44, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2-fluorophenyl)methyl]-2-(4-methyl-1,3-thiazol-2-yl)thieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 71602961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).