6-[4-[2-fluoro-5-[1-(1,3-thiazol-2-yl)ethyl]phenyl]thieno[3,2-d]pyrimidin-6-yl]hexan-1-ol

C23H24FN3OS2 — CID 144744809

IUPAC6-[4-[2-fluoro-5-[1-(1,3-thiazol-2-yl)ethyl]phenyl]thieno[3,2-d]pyrimidin-6-yl]hexan-1-ol
SMILESCC(c1ccc(F)c(-c2ncnc3cc(CCCCCCO)sc23)c1)c1nccs1
InChIInChI=1S/C23H24FN3OS2/c1-15(23-25-9-11-29-23)16-7-8-19(24)18(12-16)21-22-20(26-14-27-21)13-17(30-22)6-4-2-3-5-10-28/h7-9,11-15,28H,2-6,10H2,1H3
InChIKeyMEBKJQQFMRJYNW-UHFFFAOYSA-N
MW441.60 g/mol
LogP6.20
Rot. Bonds9

About 6-[4-[2-fluoro-5-[1-(1,3-thiazol-2-yl)ethyl]phenyl]thieno[3,2-d]pyrimidin-6-yl]hexan-1-ol

6-[4-[2-fluoro-5-[1-(1,3-thiazol-2-yl)ethyl]phenyl]thieno[3,2-d]pyrimidin-6-yl]hexan-1-ol (PubChem CID 144744809) has the molecular formula C23H24FN3OS2 and a molecular weight of 441.60 g/mol. Its IUPAC name is 6-[4-[2-fluoro-5-[1-(1,3-thiazol-2-yl)ethyl]phenyl]thieno[3,2-d]pyrimidin-6-yl]hexan-1-ol.

Molecular Properties

Compound Name6-[4-[2-fluoro-5-[1-(1,3-thiazol-2-yl)ethyl]phenyl]thieno[3,2-d]pyrimidin-6-yl]hexan-1-ol
PubChem CID144744809
Molecular FormulaC23H24FN3OS2
Molecular Weight441.60 g/mol
Exact Mass441.13
IUPAC Name6-[4-[2-fluoro-5-[1-(1,3-thiazol-2-yl)ethyl]phenyl]thieno[3,2-d]pyrimidin-6-yl]hexan-1-ol
SMILESCC(c1ccc(F)c(-c2ncnc3cc(CCCCCCO)sc23)c1)c1nccs1
InChIInChI=1S/C23H24FN3OS2/c1-15(23-25-9-11-29-23)16-7-8-19(24)18(12-16)21-22-20(26-14-27-21)13-17(30-22)6-4-2-3-5-10-28/h7-9,11-15,28H,2-6,10H2,1H3
InChIKeyMEBKJQQFMRJYNW-UHFFFAOYSA-N
XLogP6.20
TPSA58.90 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500441.60
LogP ≤ 56.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[3-[6-[[(1E)-cycloocten-1-yl]methyl]thieno[3,2-d]pyrimidin-4-yl]-4-fluorophenyl]-2-(1,3-thiazol-2-yl)acetaldehyde
CID 144744923
1-(3-chloropyrazin-2-yl)-1-[4-fluoro-3-[6-(oxan-4-ylmethyl)thieno[3,2-d]pyrimidin-4-yl]phenyl]-N-methylmethanamine
CID 123584833
4-(2,5-difluorophenyl)thieno[3,2-d]pyrimidine
CID 58661207
2-[(1R)-1-(4-methylphenyl)ethyl]-1,3-thiazole
CID 175886345
5-(4-hexoxyphenyl)-5-(1,3-thiazol-2-yl)pentan-1-ol
CID 67115711
(3-fluoro-4-methylphenyl)-(1,3-thiazol-2-yl)methanol
CID 107128181
3-[[4-fluoro-3-(6-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl)phenyl]-nitrosomethyl]-1H-pyrazin-2-one
CID 135268752
(4S)-4-[[(1R)-1-(1,3-thiazol-2-yl)ethyl]amino]pentan-1-ol
CID 97051663
(3-amino-4-fluorophenyl)-(1,3-thiazol-2-yl)methanol
CID 118355623
[4-fluoro-3-(6-methylthieno[3,2-d]pyrimidin-4-yl)phenyl]-(3-methoxypyrazin-2-yl)methanone
CID 144744948
1-(1,3-thiazol-2-yl)butane-1,2,4-triol
CID 171871689
N-[(3-chloro-4-fluorophenyl)-(1,3-thiazol-2-yl)methyl]propan-2-amine
CID 81154689

Frequently Asked Questions

What is the IUPAC name of 6-[4-[2-fluoro-5-[1-(1,3-thiazol-2-yl)ethyl]phenyl]thieno[3,2-d]pyrimidin-6-yl]hexan-1-ol?
The IUPAC name of 6-[4-[2-fluoro-5-[1-(1,3-thiazol-2-yl)ethyl]phenyl]thieno[3,2-d]pyrimidin-6-yl]hexan-1-ol (CID 144744809) is 6-[4-[2-fluoro-5-[1-(1,3-thiazol-2-yl)ethyl]phenyl]thieno[3,2-d]pyrimidin-6-yl]hexan-1-ol.
What is the SMILES notation for 6-[4-[2-fluoro-5-[1-(1,3-thiazol-2-yl)ethyl]phenyl]thieno[3,2-d]pyrimidin-6-yl]hexan-1-ol?
The canonical SMILES for 6-[4-[2-fluoro-5-[1-(1,3-thiazol-2-yl)ethyl]phenyl]thieno[3,2-d]pyrimidin-6-yl]hexan-1-ol is CC(c1ccc(F)c(-c2ncnc3cc(CCCCCCO)sc23)c1)c1nccs1.
What is the InChIKey of 6-[4-[2-fluoro-5-[1-(1,3-thiazol-2-yl)ethyl]phenyl]thieno[3,2-d]pyrimidin-6-yl]hexan-1-ol?
The InChIKey is MEBKJQQFMRJYNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24FN3OS2/c1-15(23-25-9-11-29-23)16-7-8-19(24)18(12-16)21-22-20(26-14-27-21)13-17(30-22)6-4-2-3-5-10-28/h7-9,11-15,28H,2-6,10H2,1H3.
What are the key properties of 6-[4-[2-fluoro-5-[1-(1,3-thiazol-2-yl)ethyl]phenyl]thieno[3,2-d]pyrimidin-6-yl]hexan-1-ol?
6-[4-[2-fluoro-5-[1-(1,3-thiazol-2-yl)ethyl]phenyl]thieno[3,2-d]pyrimidin-6-yl]hexan-1-ol has a molecular weight of 441.60 g/mol, XLogP of 6.20, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[2-fluoro-5-[1-(1,3-thiazol-2-yl)ethyl]phenyl]thieno[3,2-d]pyrimidin-6-yl]hexan-1-ol is sourced from PubChem (CID 144744809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).