3-cyclopropyl-2-[(2-propan-2-yl-1,3-thiazol-4-yl)methylsulfanyl]quinazolin-4-one

C18H19N3OS2 — CID 38875058

IUPAC3-cyclopropyl-2-[(2-propan-2-yl-1,3-thiazol-4-yl)methylsulfanyl]quinazolin-4-one
SMILESCC(C)c1nc(CSc2nc3ccccc3c(=O)n2C2CC2)cs1
InChIInChI=1S/C18H19N3OS2/c1-11(2)16-19-12(9-23-16)10-24-18-20-15-6-4-3-5-14(15)17(22)21(18)13-7-8-13/h3-6,9,11,13H,7-8,10H2,1-2H3
InChIKeyYVITYIRMDFFVQL-UHFFFAOYSA-N
MW357.50 g/mol
LogP4.60
Rot. Bonds5

About 3-cyclopropyl-2-[(2-propan-2-yl-1,3-thiazol-4-yl)methylsulfanyl]quinazolin-4-one

3-cyclopropyl-2-[(2-propan-2-yl-1,3-thiazol-4-yl)methylsulfanyl]quinazolin-4-one (PubChem CID 38875058) has the molecular formula C18H19N3OS2 and a molecular weight of 357.50 g/mol. Its IUPAC name is 3-cyclopropyl-2-[(2-propan-2-yl-1,3-thiazol-4-yl)methylsulfanyl]quinazolin-4-one.

Molecular Properties

Compound Name3-cyclopropyl-2-[(2-propan-2-yl-1,3-thiazol-4-yl)methylsulfanyl]quinazolin-4-one
PubChem CID38875058
Molecular FormulaC18H19N3OS2
Molecular Weight357.50 g/mol
Exact Mass357.10
IUPAC Name3-cyclopropyl-2-[(2-propan-2-yl-1,3-thiazol-4-yl)methylsulfanyl]quinazolin-4-one
SMILESCC(C)c1nc(CSc2nc3ccccc3c(=O)n2C2CC2)cs1
InChIInChI=1S/C18H19N3OS2/c1-11(2)16-19-12(9-23-16)10-24-18-20-15-6-4-3-5-14(15)17(22)21(18)13-7-8-13/h3-6,9,11,13H,7-8,10H2,1-2H3
InChIKeyYVITYIRMDFFVQL-UHFFFAOYSA-N
XLogP4.60
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.50
LogP ≤ 54.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-2-[(2-propan-2-yl-1,3-thiazol-4-yl)methylsulfanyl]quinazolin-4-one?
The IUPAC name of 3-cyclopropyl-2-[(2-propan-2-yl-1,3-thiazol-4-yl)methylsulfanyl]quinazolin-4-one (CID 38875058) is 3-cyclopropyl-2-[(2-propan-2-yl-1,3-thiazol-4-yl)methylsulfanyl]quinazolin-4-one.
What is the SMILES notation for 3-cyclopropyl-2-[(2-propan-2-yl-1,3-thiazol-4-yl)methylsulfanyl]quinazolin-4-one?
The canonical SMILES for 3-cyclopropyl-2-[(2-propan-2-yl-1,3-thiazol-4-yl)methylsulfanyl]quinazolin-4-one is CC(C)c1nc(CSc2nc3ccccc3c(=O)n2C2CC2)cs1.
What is the InChIKey of 3-cyclopropyl-2-[(2-propan-2-yl-1,3-thiazol-4-yl)methylsulfanyl]quinazolin-4-one?
The InChIKey is YVITYIRMDFFVQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3OS2/c1-11(2)16-19-12(9-23-16)10-24-18-20-15-6-4-3-5-14(15)17(22)21(18)13-7-8-13/h3-6,9,11,13H,7-8,10H2,1-2H3.
What are the key properties of 3-cyclopropyl-2-[(2-propan-2-yl-1,3-thiazol-4-yl)methylsulfanyl]quinazolin-4-one?
3-cyclopropyl-2-[(2-propan-2-yl-1,3-thiazol-4-yl)methylsulfanyl]quinazolin-4-one has a molecular weight of 357.50 g/mol, XLogP of 4.60, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-2-[(2-propan-2-yl-1,3-thiazol-4-yl)methylsulfanyl]quinazolin-4-one is sourced from PubChem (CID 38875058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).