2-ethylsulfanyl-4-(trifluoromethyl)-5,6,7,8-tetrahydroquinazoline

C11H13F3N2S — CID 5240327

IUPAC2-ethylsulfanyl-4-(trifluoromethyl)-5,6,7,8-tetrahydroquinazoline
SMILESCCSc1nc2c(c(C(F)(F)F)n1)CCCC2
InChIInChI=1S/C11H13F3N2S/c1-2-17-10-15-8-6-4-3-5-7(8)9(16-10)11(12,13)14/h2-6H2,1H3
InChIKeyLVFQTVUEZLNQSJ-UHFFFAOYSA-N
MW262.30 g/mol
LogP3.49
Rot. Bonds2

About 2-ethylsulfanyl-4-(trifluoromethyl)-5,6,7,8-tetrahydroquinazoline

2-ethylsulfanyl-4-(trifluoromethyl)-5,6,7,8-tetrahydroquinazoline (PubChem CID 5240327) has the molecular formula C11H13F3N2S and a molecular weight of 262.30 g/mol. Its IUPAC name is 2-ethylsulfanyl-4-(trifluoromethyl)-5,6,7,8-tetrahydroquinazoline.

Molecular Properties

Compound Name2-ethylsulfanyl-4-(trifluoromethyl)-5,6,7,8-tetrahydroquinazoline
PubChem CID5240327
Molecular FormulaC11H13F3N2S
Molecular Weight262.30 g/mol
Exact Mass262.08
IUPAC Name2-ethylsulfanyl-4-(trifluoromethyl)-5,6,7,8-tetrahydroquinazoline
SMILESCCSc1nc2c(c(C(F)(F)F)n1)CCCC2
InChIInChI=1S/C11H13F3N2S/c1-2-17-10-15-8-6-4-3-5-7(8)9(16-10)11(12,13)14/h2-6H2,1H3
InChIKeyLVFQTVUEZLNQSJ-UHFFFAOYSA-N
XLogP3.49
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.30
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-methyl-7,8-dihydro-5H-thiopyrano[4,3-d]pyrimidin-2-amine
CID 2726820
4-Methyl-5,6,7,8-tetrahydroquinazolin-2-amine
CID 4962065
6-Methyl-2-methylsulfanyl-4-(trifluoromethyl)-5,6,7,8-tetrahydroquinazoline
CID 9550059
Methyl [(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)sulfanyl]acetate
CID 2948432
4-(Trifluoromethyl)-5,6,7,8-tetrahydroquinazolin-2-amine
CID 640492
6-Methyl-2-(methylsulfonyl)-4-(trifluoromethyl)-5,6,7,8-tetrahydroquinazoline
CID 3245844
2-{[4-(Trifluoromethyl)-5,6,7,8-tetrahydroquinazolin-2-yl]sulfanyl}acetic acid
CID 4182022
2-Methylsulfonyl-4-(trifluoromethyl)-5,6,7,8-tetrahydroquinazoline
CID 3242158
Sodium 2-[[4-(trifluoromethyl)-5,6,7,8-tetrahydroquinazolin-2-yl]sulfanyl]acetate
CID 23667891
4-Methyl-2-prop-2-ynylsulfanyl-5,6,7,8-tetrahydroquinazoline
CID 2948688
4-Methyl-2-(methylthio)-5,6,7,8-tetrahydroquinazoline
CID 6460358
2,4-Dimethyl-5,6,7,8-tetrahydroquinazoline
CID 13111293

Frequently Asked Questions

What is the IUPAC name of 2-ethylsulfanyl-4-(trifluoromethyl)-5,6,7,8-tetrahydroquinazoline?
The IUPAC name of 2-ethylsulfanyl-4-(trifluoromethyl)-5,6,7,8-tetrahydroquinazoline (CID 5240327) is 2-ethylsulfanyl-4-(trifluoromethyl)-5,6,7,8-tetrahydroquinazoline.
What is the SMILES notation for 2-ethylsulfanyl-4-(trifluoromethyl)-5,6,7,8-tetrahydroquinazoline?
The canonical SMILES for 2-ethylsulfanyl-4-(trifluoromethyl)-5,6,7,8-tetrahydroquinazoline is CCSc1nc2c(c(C(F)(F)F)n1)CCCC2.
What is the InChIKey of 2-ethylsulfanyl-4-(trifluoromethyl)-5,6,7,8-tetrahydroquinazoline?
The InChIKey is LVFQTVUEZLNQSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F3N2S/c1-2-17-10-15-8-6-4-3-5-7(8)9(16-10)11(12,13)14/h2-6H2,1H3.
What are the key properties of 2-ethylsulfanyl-4-(trifluoromethyl)-5,6,7,8-tetrahydroquinazoline?
2-ethylsulfanyl-4-(trifluoromethyl)-5,6,7,8-tetrahydroquinazoline has a molecular weight of 262.30 g/mol, XLogP of 3.49, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylsulfanyl-4-(trifluoromethyl)-5,6,7,8-tetrahydroquinazoline is sourced from PubChem (CID 5240327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).