4-[(4-fluorophenyl)methyl]-N-(7-methoxy-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)piperidine-1-carboxamide

C19H20FN5O2S — CID 24829792

IUPAC4-[(4-fluorophenyl)methyl]-N-(7-methoxy-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)piperidine-1-carboxamide
SMILESCOc1ncnc2sc(NC(=O)N3CCC(Cc4ccc(F)cc4)CC3)nc12
InChIInChI=1S/C19H20FN5O2S/c1-27-16-15-17(22-11-21-16)28-18(23-15)24-19(26)25-8-6-13(7-9-25)10-12-2-4-14(20)5-3-12/h2-5,11,13H,6-10H2,1H3,(H,23,24,26)
InChIKeySSAQODMFXNPNHG-UHFFFAOYSA-N
MW401.47 g/mol
LogP3.72
Rot. Bonds4

About 4-[(4-fluorophenyl)methyl]-N-(7-methoxy-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)piperidine-1-carboxamide

4-[(4-fluorophenyl)methyl]-N-(7-methoxy-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)piperidine-1-carboxamide (PubChem CID 24829792) has the molecular formula C19H20FN5O2S and a molecular weight of 401.47 g/mol. Its IUPAC name is 4-[(4-fluorophenyl)methyl]-N-(7-methoxy-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)piperidine-1-carboxamide.

Molecular Properties

Compound Name4-[(4-fluorophenyl)methyl]-N-(7-methoxy-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)piperidine-1-carboxamide
PubChem CID24829792
Molecular FormulaC19H20FN5O2S
Molecular Weight401.47 g/mol
Exact Mass401.13
IUPAC Name4-[(4-fluorophenyl)methyl]-N-(7-methoxy-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)piperidine-1-carboxamide
SMILESCOc1ncnc2sc(NC(=O)N3CCC(Cc4ccc(F)cc4)CC3)nc12
InChIInChI=1S/C19H20FN5O2S/c1-27-16-15-17(22-11-21-16)28-18(23-15)24-19(26)25-8-6-13(7-9-25)10-12-2-4-14(20)5-3-12/h2-5,11,13H,6-10H2,1H3,(H,23,24,26)
InChIKeySSAQODMFXNPNHG-UHFFFAOYSA-N
XLogP3.72
TPSA80.24 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.47
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(R)-3-(4-fluoro-3-trifluoromethyl-benzylamino)-pyrrolidine-1-carboxylic acid (7-methoxy-thiazolo[5,4-d]pyrimidin-2-yl)-amide
CID 17757330
3,4-dihydroxy-N-(7-methoxy-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)-4-[3-(trifluoromethyl)phenyl]piperidine-1-carboxamide
CID 24829448
4-(4-fluorophenyl)-N-(7-methoxy-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)-1-oxo-2,8-diazaspiro[4.5]decane-8-carboxamide
CID 24829451
4-Hydroxy-4-(3-trifluoromethyl-phenyl)-piperidine-1-carboxylic acid (7-methoxy-thiazolo[5,4-d]pyrimidin-2-yl)-amide
CID 24829619
N-(7-methoxy-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)-4-[3-(trifluoromethyl)phenyl]piperidine-1-carboxamide
CID 24829620
N-(7-methoxy-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)-4-[3-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridine-1-carboxamide
CID 24829621
N-(7-methoxy-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)-3-[[3-(trifluoromethyl)phenyl]methyl]piperidine-1-carboxamide
CID 24829622
N-(7-methoxy-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)-4-[3-(trifluoromethyl)phenyl]sulfonylpiperidine-1-carboxamide
CID 24829788
N-(7-methoxy-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)-4-[[3-(trifluoromethyl)phenyl]methyl]piperidine-1-carboxamide
CID 24829955
4'-Hydroxy-6-trifluoromethyl-3',4',5',6'-tetrahydro-2'h-[2,4']bipyridinyl-1'-carboxylic acid(7-methoxy-thiazolo[5,4-d]pyrimidin-2-yl)-amide
CID 24829958
4-Acetylamino-4-(3-trifluoromethyl-phenyl)-piperidine-1-carboxylic acid (7-methoxy-thiazolo[5,4-d]pyrimidin-2-yl)-amide
CID 24829959
4-amino-N-(7-methoxy-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)-4-[3-(trifluoromethyl)phenyl]piperidine-1-carboxamide
CID 24830126

Frequently Asked Questions

What is the IUPAC name of 4-[(4-fluorophenyl)methyl]-N-(7-methoxy-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)piperidine-1-carboxamide?
The IUPAC name of 4-[(4-fluorophenyl)methyl]-N-(7-methoxy-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)piperidine-1-carboxamide (CID 24829792) is 4-[(4-fluorophenyl)methyl]-N-(7-methoxy-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)piperidine-1-carboxamide.
What is the SMILES notation for 4-[(4-fluorophenyl)methyl]-N-(7-methoxy-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)piperidine-1-carboxamide?
The canonical SMILES for 4-[(4-fluorophenyl)methyl]-N-(7-methoxy-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)piperidine-1-carboxamide is COc1ncnc2sc(NC(=O)N3CCC(Cc4ccc(F)cc4)CC3)nc12.
What is the InChIKey of 4-[(4-fluorophenyl)methyl]-N-(7-methoxy-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)piperidine-1-carboxamide?
The InChIKey is SSAQODMFXNPNHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FN5O2S/c1-27-16-15-17(22-11-21-16)28-18(23-15)24-19(26)25-8-6-13(7-9-25)10-12-2-4-14(20)5-3-12/h2-5,11,13H,6-10H2,1H3,(H,23,24,26).
What are the key properties of 4-[(4-fluorophenyl)methyl]-N-(7-methoxy-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)piperidine-1-carboxamide?
4-[(4-fluorophenyl)methyl]-N-(7-methoxy-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)piperidine-1-carboxamide has a molecular weight of 401.47 g/mol, XLogP of 3.72, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-fluorophenyl)methyl]-N-(7-methoxy-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)piperidine-1-carboxamide is sourced from PubChem (CID 24829792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).