(2-methylsulfanyl-5,6,7,8-tetrahydroquinazolin-4-yl) thiophene-2-carboxylate

C14H14N2O2S2 — CID 1474908

IUPAC(2-methylsulfanyl-5,6,7,8-tetrahydroquinazolin-4-yl) thiophene-2-carboxylate
SMILESCSc1nc2c(c(OC(=O)c3cccs3)n1)CCCC2
InChIInChI=1S/C14H14N2O2S2/c1-19-14-15-10-6-3-2-5-9(10)12(16-14)18-13(17)11-7-4-8-20-11/h4,7-8H,2-3,5-6H2,1H3
InChIKeyIEDSHIIPASJDMH-UHFFFAOYSA-N
MW306.41 g/mol
LogP3.36
Rot. Bonds3

About (2-methylsulfanyl-5,6,7,8-tetrahydroquinazolin-4-yl) thiophene-2-carboxylate

(2-methylsulfanyl-5,6,7,8-tetrahydroquinazolin-4-yl) thiophene-2-carboxylate (PubChem CID 1474908) has the molecular formula C14H14N2O2S2 and a molecular weight of 306.41 g/mol. Its IUPAC name is (2-methylsulfanyl-5,6,7,8-tetrahydroquinazolin-4-yl) thiophene-2-carboxylate.

Molecular Properties

Compound Name(2-methylsulfanyl-5,6,7,8-tetrahydroquinazolin-4-yl) thiophene-2-carboxylate
PubChem CID1474908
Molecular FormulaC14H14N2O2S2
Molecular Weight306.41 g/mol
Exact Mass306.05
IUPAC Name(2-methylsulfanyl-5,6,7,8-tetrahydroquinazolin-4-yl) thiophene-2-carboxylate
SMILESCSc1nc2c(c(OC(=O)c3cccs3)n1)CCCC2
InChIInChI=1S/C14H14N2O2S2/c1-19-14-15-10-6-3-2-5-9(10)12(16-14)18-13(17)11-7-4-8-20-11/h4,7-8H,2-3,5-6H2,1H3
InChIKeyIEDSHIIPASJDMH-UHFFFAOYSA-N
XLogP3.36
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2-methylsulfanyl-5,6,7,8-tetrahydroquinazolin-4-yl) thiophene-2-carboxylate?
The IUPAC name of (2-methylsulfanyl-5,6,7,8-tetrahydroquinazolin-4-yl) thiophene-2-carboxylate (CID 1474908) is (2-methylsulfanyl-5,6,7,8-tetrahydroquinazolin-4-yl) thiophene-2-carboxylate.
What is the SMILES notation for (2-methylsulfanyl-5,6,7,8-tetrahydroquinazolin-4-yl) thiophene-2-carboxylate?
The canonical SMILES for (2-methylsulfanyl-5,6,7,8-tetrahydroquinazolin-4-yl) thiophene-2-carboxylate is CSc1nc2c(c(OC(=O)c3cccs3)n1)CCCC2.
What is the InChIKey of (2-methylsulfanyl-5,6,7,8-tetrahydroquinazolin-4-yl) thiophene-2-carboxylate?
The InChIKey is IEDSHIIPASJDMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O2S2/c1-19-14-15-10-6-3-2-5-9(10)12(16-14)18-13(17)11-7-4-8-20-11/h4,7-8H,2-3,5-6H2,1H3.
What are the key properties of (2-methylsulfanyl-5,6,7,8-tetrahydroquinazolin-4-yl) thiophene-2-carboxylate?
(2-methylsulfanyl-5,6,7,8-tetrahydroquinazolin-4-yl) thiophene-2-carboxylate has a molecular weight of 306.41 g/mol, XLogP of 3.36, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methylsulfanyl-5,6,7,8-tetrahydroquinazolin-4-yl) thiophene-2-carboxylate is sourced from PubChem (CID 1474908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).