1-(4-fluorophenyl)-3,6-dimethyl-4-thiophen-2-yl-4H-pyrazolo[5,4-d][1,3]thiazine

C17H14FN3S2 — CID 16766905

IUPAC1-(4-fluorophenyl)-3,6-dimethyl-4-thiophen-2-yl-4H-pyrazolo[5,4-d][1,3]thiazine
SMILESCC1=Nc2c(c(C)nn2-c2ccc(F)cc2)C(c2cccs2)S1
InChIInChI=1S/C17H14FN3S2/c1-10-15-16(14-4-3-9-22-14)23-11(2)19-17(15)21(20-10)13-7-5-12(18)6-8-13/h3-9,16H,1-2H3
InChIKeyQYJXRNBKVOAZLS-UHFFFAOYSA-N
MW343.45 g/mol
LogP5.27
Rot. Bonds2

About 1-(4-fluorophenyl)-3,6-dimethyl-4-thiophen-2-yl-4H-pyrazolo[5,4-d][1,3]thiazine

1-(4-fluorophenyl)-3,6-dimethyl-4-thiophen-2-yl-4H-pyrazolo[5,4-d][1,3]thiazine (PubChem CID 16766905) has the molecular formula C17H14FN3S2 and a molecular weight of 343.45 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-3,6-dimethyl-4-thiophen-2-yl-4H-pyrazolo[5,4-d][1,3]thiazine.

Molecular Properties

Compound Name1-(4-fluorophenyl)-3,6-dimethyl-4-thiophen-2-yl-4H-pyrazolo[5,4-d][1,3]thiazine
PubChem CID16766905
Molecular FormulaC17H14FN3S2
Molecular Weight343.45 g/mol
Exact Mass343.06
IUPAC Name1-(4-fluorophenyl)-3,6-dimethyl-4-thiophen-2-yl-4H-pyrazolo[5,4-d][1,3]thiazine
SMILESCC1=Nc2c(c(C)nn2-c2ccc(F)cc2)C(c2cccs2)S1
InChIInChI=1S/C17H14FN3S2/c1-10-15-16(14-4-3-9-22-14)23-11(2)19-17(15)21(20-10)13-7-5-12(18)6-8-13/h3-9,16H,1-2H3
InChIKeyQYJXRNBKVOAZLS-UHFFFAOYSA-N
XLogP5.27
TPSA30.18 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500343.45
LogP ≤ 55.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-(4-fluorophenyl)-3,6-dimethyl-4-thiophen-2-yl-4H-pyrazolo[5,4-d][1,3]thiazine with MolForge

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Related Compounds

1-phenyl-3-(thiophen-2-yl)-1H-pyrazol-5-amine
CID 16228641
1-phenyl-3-(thiophen-3-yl)-1H-pyrazol-5-amine
CID 43158972
1-(4-Methylphenyl)-5-thiophen-2-yl-3-(trifluoromethyl)pyrazole
CID 2812745
3-Methyl-1-phenyl-6-(trifluoromethyl)pyrazolo[5,4-d][1,3]thiazine-4-thione
CID 10991045
1-Phenyl-3-methyl-4-benzylthio-5-aminopyrazole
CID 3082355
5-Methyl-1-phenyl-4-thiophen-2-yl-3-(trifluoromethyl)pyrazole
CID 135065112
5-cyclopropyl-3-methyl-1,6-diphenyl-4-thiophen-2-yl-4H-pyrazolo[5,4-d]pyrimidine
CID 16276580
5-Amino-1-phenyl-3-(thiophen-2-yl)pyrazole-4-carbonitrile
CID 21860261
2-Methyl-3-phenyl-5-(thiophen-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
CID 1001552
1-(4-fluorophenyl)-3-(thiophen-2-yl)-1H-pyrazol-5-amine
CID 2742741
N-[[5-(4-ethylpiperazin-1-yl)-1-(3-fluorophenyl)-3-methylpyrazol-4-yl]methyl]-N-(thiophen-3-ylmethyl)propan-2-amine
CID 42690237
{[5-(4-Ethylpiperazin-1-YL)-1-(3-fluorophenyl)-3-propyl-1H-pyrazol-4-YL]methyl}[(3-methylthiophen-2-YL)methyl]propylamine
CID 42690463

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-3,6-dimethyl-4-thiophen-2-yl-4H-pyrazolo[5,4-d][1,3]thiazine?
The IUPAC name of 1-(4-fluorophenyl)-3,6-dimethyl-4-thiophen-2-yl-4H-pyrazolo[5,4-d][1,3]thiazine (CID 16766905) is 1-(4-fluorophenyl)-3,6-dimethyl-4-thiophen-2-yl-4H-pyrazolo[5,4-d][1,3]thiazine.
What is the SMILES notation for 1-(4-fluorophenyl)-3,6-dimethyl-4-thiophen-2-yl-4H-pyrazolo[5,4-d][1,3]thiazine?
The canonical SMILES for 1-(4-fluorophenyl)-3,6-dimethyl-4-thiophen-2-yl-4H-pyrazolo[5,4-d][1,3]thiazine is CC1=Nc2c(c(C)nn2-c2ccc(F)cc2)C(c2cccs2)S1.
What is the InChIKey of 1-(4-fluorophenyl)-3,6-dimethyl-4-thiophen-2-yl-4H-pyrazolo[5,4-d][1,3]thiazine?
The InChIKey is QYJXRNBKVOAZLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14FN3S2/c1-10-15-16(14-4-3-9-22-14)23-11(2)19-17(15)21(20-10)13-7-5-12(18)6-8-13/h3-9,16H,1-2H3.
What are the key properties of 1-(4-fluorophenyl)-3,6-dimethyl-4-thiophen-2-yl-4H-pyrazolo[5,4-d][1,3]thiazine?
1-(4-fluorophenyl)-3,6-dimethyl-4-thiophen-2-yl-4H-pyrazolo[5,4-d][1,3]thiazine has a molecular weight of 343.45 g/mol, XLogP of 5.27, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-3,6-dimethyl-4-thiophen-2-yl-4H-pyrazolo[5,4-d][1,3]thiazine is sourced from PubChem (CID 16766905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).