2-[3-[4-(difluoromethoxy)phenyl]-4-oxoquinazolin-2-yl]sulfanyl-N-(1,3-thiazol-2-yl)acetamide

C20H14F2N4O3S2 — CID 42966221

IUPAC2-[3-[4-(difluoromethoxy)phenyl]-4-oxoquinazolin-2-yl]sulfanyl-N-(1,3-thiazol-2-yl)acetamide
SMILESO=C(CSc1nc2ccccc2c(=O)n1-c1ccc(OC(F)F)cc1)Nc1nccs1
InChIInChI=1S/C20H14F2N4O3S2/c21-18(22)29-13-7-5-12(6-8-13)26-17(28)14-3-1-2-4-15(14)24-20(26)31-11-16(27)25-19-23-9-10-30-19/h1-10,18H,11H2,(H,23,25,27)
InChIKeyQSNLKFNXQLHSDD-UHFFFAOYSA-N
MW460.49 g/mol
LogP4.17
Rot. Bonds7

About 2-[3-[4-(difluoromethoxy)phenyl]-4-oxoquinazolin-2-yl]sulfanyl-N-(1,3-thiazol-2-yl)acetamide

2-[3-[4-(difluoromethoxy)phenyl]-4-oxoquinazolin-2-yl]sulfanyl-N-(1,3-thiazol-2-yl)acetamide (PubChem CID 42966221) has the molecular formula C20H14F2N4O3S2 and a molecular weight of 460.49 g/mol. Its IUPAC name is 2-[3-[4-(difluoromethoxy)phenyl]-4-oxoquinazolin-2-yl]sulfanyl-N-(1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-[3-[4-(difluoromethoxy)phenyl]-4-oxoquinazolin-2-yl]sulfanyl-N-(1,3-thiazol-2-yl)acetamide
PubChem CID42966221
Molecular FormulaC20H14F2N4O3S2
Molecular Weight460.49 g/mol
Exact Mass460.05
IUPAC Name2-[3-[4-(difluoromethoxy)phenyl]-4-oxoquinazolin-2-yl]sulfanyl-N-(1,3-thiazol-2-yl)acetamide
SMILESO=C(CSc1nc2ccccc2c(=O)n1-c1ccc(OC(F)F)cc1)Nc1nccs1
InChIInChI=1S/C20H14F2N4O3S2/c21-18(22)29-13-7-5-12(6-8-13)26-17(28)14-3-1-2-4-15(14)24-20(26)31-11-16(27)25-19-23-9-10-30-19/h1-10,18H,11H2,(H,23,25,27)
InChIKeyQSNLKFNXQLHSDD-UHFFFAOYSA-N
XLogP4.17
TPSA86.11 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.49
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-[3-[4-(difluoromethoxy)phenyl]-4-oxoquinazolin-2-yl]sulfanyl-N-(1,3-thiazol-2-yl)acetamide?
The IUPAC name of 2-[3-[4-(difluoromethoxy)phenyl]-4-oxoquinazolin-2-yl]sulfanyl-N-(1,3-thiazol-2-yl)acetamide (CID 42966221) is 2-[3-[4-(difluoromethoxy)phenyl]-4-oxoquinazolin-2-yl]sulfanyl-N-(1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for 2-[3-[4-(difluoromethoxy)phenyl]-4-oxoquinazolin-2-yl]sulfanyl-N-(1,3-thiazol-2-yl)acetamide?
The canonical SMILES for 2-[3-[4-(difluoromethoxy)phenyl]-4-oxoquinazolin-2-yl]sulfanyl-N-(1,3-thiazol-2-yl)acetamide is O=C(CSc1nc2ccccc2c(=O)n1-c1ccc(OC(F)F)cc1)Nc1nccs1.
What is the InChIKey of 2-[3-[4-(difluoromethoxy)phenyl]-4-oxoquinazolin-2-yl]sulfanyl-N-(1,3-thiazol-2-yl)acetamide?
The InChIKey is QSNLKFNXQLHSDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14F2N4O3S2/c21-18(22)29-13-7-5-12(6-8-13)26-17(28)14-3-1-2-4-15(14)24-20(26)31-11-16(27)25-19-23-9-10-30-19/h1-10,18H,11H2,(H,23,25,27).
What are the key properties of 2-[3-[4-(difluoromethoxy)phenyl]-4-oxoquinazolin-2-yl]sulfanyl-N-(1,3-thiazol-2-yl)acetamide?
2-[3-[4-(difluoromethoxy)phenyl]-4-oxoquinazolin-2-yl]sulfanyl-N-(1,3-thiazol-2-yl)acetamide has a molecular weight of 460.49 g/mol, XLogP of 4.17, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[4-(difluoromethoxy)phenyl]-4-oxoquinazolin-2-yl]sulfanyl-N-(1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 42966221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).