2-ethyl-6-fluoro-8-methyl-1H-quinazoline-4-thione

C11H11FN2S — CID 106505502

IUPAC2-ethyl-6-fluoro-8-methyl-1H-quinazoline-4-thione
SMILESCCc1nc(=S)c2cc(F)cc(C)c2[nH]1
InChIInChI=1S/C11H11FN2S/c1-3-9-13-10-6(2)4-7(12)5-8(10)11(15)14-9/h4-5H,3H2,1-2H3,(H,13,14,15)
InChIKeyPPECYMWZAAGHMN-UHFFFAOYSA-N
MW222.29 g/mol
LogP3.30
Rot. Bonds1

About 2-ethyl-6-fluoro-8-methyl-1H-quinazoline-4-thione

2-ethyl-6-fluoro-8-methyl-1H-quinazoline-4-thione (PubChem CID 106505502) has the molecular formula C11H11FN2S and a molecular weight of 222.29 g/mol. Its IUPAC name is 2-ethyl-6-fluoro-8-methyl-1H-quinazoline-4-thione.

Molecular Properties

Compound Name2-ethyl-6-fluoro-8-methyl-1H-quinazoline-4-thione
PubChem CID106505502
Molecular FormulaC11H11FN2S
Molecular Weight222.29 g/mol
Exact Mass222.06
IUPAC Name2-ethyl-6-fluoro-8-methyl-1H-quinazoline-4-thione
SMILESCCc1nc(=S)c2cc(F)cc(C)c2[nH]1
InChIInChI=1S/C11H11FN2S/c1-3-9-13-10-6(2)4-7(12)5-8(10)11(15)14-9/h4-5H,3H2,1-2H3,(H,13,14,15)
InChIKeyPPECYMWZAAGHMN-UHFFFAOYSA-N
XLogP3.30
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-ethyl-8-fluoro-1H-quinazoline-4-thione
CID 106505547
2-ethyl-6-(4-fluoro-2-methylphenyl)-5-methyl-1H-pyrimidine-4-thione
CID 106514948
2-ethyl-5-fluoro-3,7-dimethyl-1H-indole
CID 65335761
2-ethyl-5-methyl-6-(3,4,5-trifluorophenyl)-1H-pyrimidine-4-thione
CID 106515648
6-(3,5-difluorophenyl)-2-ethyl-1H-pyrimidine-4-thione
CID 106514135
6,7-diethoxy-2-ethyl-1H-quinazoline-4-thione
CID 106505560
5,8-dichloro-2-ethyl-1H-quinazoline-4-thione
CID 107051759
8-chloro-2-ethyl-6-fluoro-3H-quinazolin-4-one
CID 136743464
3-ethyl-5-fluoro-7-methyl-1-benzothiophene
CID 131060314
6-(3,5-dimethoxyphenyl)-2-ethyl-5-methyl-1H-pyrimidine-4-thione
CID 106519169
3-ethyl-5-fluoro-7-methyl-2H-indazole
CID 89021133
2-tert-butyl-5-fluoro-7-methyl-1H-indole
CID 65337961

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-6-fluoro-8-methyl-1H-quinazoline-4-thione?
The IUPAC name of 2-ethyl-6-fluoro-8-methyl-1H-quinazoline-4-thione (CID 106505502) is 2-ethyl-6-fluoro-8-methyl-1H-quinazoline-4-thione.
What is the SMILES notation for 2-ethyl-6-fluoro-8-methyl-1H-quinazoline-4-thione?
The canonical SMILES for 2-ethyl-6-fluoro-8-methyl-1H-quinazoline-4-thione is CCc1nc(=S)c2cc(F)cc(C)c2[nH]1.
What is the InChIKey of 2-ethyl-6-fluoro-8-methyl-1H-quinazoline-4-thione?
The InChIKey is PPECYMWZAAGHMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11FN2S/c1-3-9-13-10-6(2)4-7(12)5-8(10)11(15)14-9/h4-5H,3H2,1-2H3,(H,13,14,15).
What are the key properties of 2-ethyl-6-fluoro-8-methyl-1H-quinazoline-4-thione?
2-ethyl-6-fluoro-8-methyl-1H-quinazoline-4-thione has a molecular weight of 222.29 g/mol, XLogP of 3.30, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-6-fluoro-8-methyl-1H-quinazoline-4-thione is sourced from PubChem (CID 106505502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).