6-methyl-2-propylsulfanyl-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-4-one

C14H18N2OS2 — CID 2983236

IUPAC6-methyl-2-propylsulfanyl-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-4-one
SMILESCCCSc1nc2sc3c(c2c(=O)[nH]1)CC(C)CC3
InChIInChI=1S/C14H18N2OS2/c1-3-6-18-14-15-12(17)11-9-7-8(2)4-5-10(9)19-13(11)16-14/h8H,3-7H2,1-2H3,(H,15,16,17)
InChIKeyCPBIRHHJIOEGCD-UHFFFAOYSA-N
MW294.45 g/mol
LogP3.61
Rot. Bonds3

About 6-methyl-2-propylsulfanyl-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-4-one

6-methyl-2-propylsulfanyl-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-4-one (PubChem CID 2983236) has the molecular formula C14H18N2OS2 and a molecular weight of 294.45 g/mol. Its IUPAC name is 6-methyl-2-propylsulfanyl-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name6-methyl-2-propylsulfanyl-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-4-one
PubChem CID2983236
Molecular FormulaC14H18N2OS2
Molecular Weight294.45 g/mol
Exact Mass294.09
IUPAC Name6-methyl-2-propylsulfanyl-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-4-one
SMILESCCCSc1nc2sc3c(c2c(=O)[nH]1)CC(C)CC3
InChIInChI=1S/C14H18N2OS2/c1-3-6-18-14-15-12(17)11-9-7-8(2)4-5-10(9)19-13(11)16-14/h8H,3-7H2,1-2H3,(H,15,16,17)
InChIKeyCPBIRHHJIOEGCD-UHFFFAOYSA-N
XLogP3.61
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.45
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 6-methyl-2-propylsulfanyl-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-propylsulfanyl-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-4-one?
The IUPAC name of 6-methyl-2-propylsulfanyl-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-4-one (CID 2983236) is 6-methyl-2-propylsulfanyl-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 6-methyl-2-propylsulfanyl-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-4-one?
The canonical SMILES for 6-methyl-2-propylsulfanyl-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-4-one is CCCSc1nc2sc3c(c2c(=O)[nH]1)CC(C)CC3.
What is the InChIKey of 6-methyl-2-propylsulfanyl-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-4-one?
The InChIKey is CPBIRHHJIOEGCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2OS2/c1-3-6-18-14-15-12(17)11-9-7-8(2)4-5-10(9)19-13(11)16-14/h8H,3-7H2,1-2H3,(H,15,16,17).
What are the key properties of 6-methyl-2-propylsulfanyl-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-4-one?
6-methyl-2-propylsulfanyl-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-4-one has a molecular weight of 294.45 g/mol, XLogP of 3.61, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-propylsulfanyl-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 2983236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).