2-(3-ethyl-4-oxoquinazolin-2-yl)sulfanyl-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]propanamide

C22H19FN4O2S2 — CID 23914763

IUPAC2-(3-ethyl-4-oxoquinazolin-2-yl)sulfanyl-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]propanamide
SMILESCCn1c(SC(C)C(=O)Nc2nc(-c3ccc(F)cc3)cs2)nc2ccccc2c1=O
InChIInChI=1S/C22H19FN4O2S2/c1-3-27-20(29)16-6-4-5-7-17(16)25-22(27)31-13(2)19(28)26-21-24-18(12-30-21)14-8-10-15(23)11-9-14/h4-13H,3H2,1-2H3,(H,24,26,28)
InChIKeyRQNGSKMXWDGWJF-UHFFFAOYSA-N
MW454.55 g/mol
LogP4.80
Rot. Bonds6

About 2-(3-ethyl-4-oxoquinazolin-2-yl)sulfanyl-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]propanamide

2-(3-ethyl-4-oxoquinazolin-2-yl)sulfanyl-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]propanamide (PubChem CID 23914763) has the molecular formula C22H19FN4O2S2 and a molecular weight of 454.55 g/mol. Its IUPAC name is 2-(3-ethyl-4-oxoquinazolin-2-yl)sulfanyl-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]propanamide.

Molecular Properties

Compound Name2-(3-ethyl-4-oxoquinazolin-2-yl)sulfanyl-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]propanamide
PubChem CID23914763
Molecular FormulaC22H19FN4O2S2
Molecular Weight454.55 g/mol
Exact Mass454.09
IUPAC Name2-(3-ethyl-4-oxoquinazolin-2-yl)sulfanyl-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]propanamide
SMILESCCn1c(SC(C)C(=O)Nc2nc(-c3ccc(F)cc3)cs2)nc2ccccc2c1=O
InChIInChI=1S/C22H19FN4O2S2/c1-3-27-20(29)16-6-4-5-7-17(16)25-22(27)31-13(2)19(28)26-21-24-18(12-30-21)14-8-10-15(23)11-9-14/h4-13H,3H2,1-2H3,(H,24,26,28)
InChIKeyRQNGSKMXWDGWJF-UHFFFAOYSA-N
XLogP4.80
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.55
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(3-ethyl-4-oxoquinazolin-2-yl)sulfanyl-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]propanamide?
The IUPAC name of 2-(3-ethyl-4-oxoquinazolin-2-yl)sulfanyl-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]propanamide (CID 23914763) is 2-(3-ethyl-4-oxoquinazolin-2-yl)sulfanyl-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]propanamide.
What is the SMILES notation for 2-(3-ethyl-4-oxoquinazolin-2-yl)sulfanyl-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]propanamide?
The canonical SMILES for 2-(3-ethyl-4-oxoquinazolin-2-yl)sulfanyl-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]propanamide is CCn1c(SC(C)C(=O)Nc2nc(-c3ccc(F)cc3)cs2)nc2ccccc2c1=O.
What is the InChIKey of 2-(3-ethyl-4-oxoquinazolin-2-yl)sulfanyl-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]propanamide?
The InChIKey is RQNGSKMXWDGWJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19FN4O2S2/c1-3-27-20(29)16-6-4-5-7-17(16)25-22(27)31-13(2)19(28)26-21-24-18(12-30-21)14-8-10-15(23)11-9-14/h4-13H,3H2,1-2H3,(H,24,26,28).
What are the key properties of 2-(3-ethyl-4-oxoquinazolin-2-yl)sulfanyl-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]propanamide?
2-(3-ethyl-4-oxoquinazolin-2-yl)sulfanyl-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]propanamide has a molecular weight of 454.55 g/mol, XLogP of 4.80, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethyl-4-oxoquinazolin-2-yl)sulfanyl-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]propanamide is sourced from PubChem (CID 23914763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).