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

C24H24N4O2S2 — CID 4031724

IUPAC2-[3-(2-methylpropyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(4-phenyl-1,3-thiazol-2-yl)propanamide
SMILESCC(C)Cn1c(SC(C)C(=O)Nc2nc(-c3ccccc3)cs2)nc2ccccc2c1=O
InChIInChI=1S/C24H24N4O2S2/c1-15(2)13-28-22(30)18-11-7-8-12-19(18)26-24(28)32-16(3)21(29)27-23-25-20(14-31-23)17-9-5-4-6-10-17/h4-12,14-16H,13H2,1-3H3,(H,25,27,29)
InChIKeyILMRXNFMAORXFS-UHFFFAOYSA-N
MW464.62 g/mol
LogP5.30
Rot. Bonds7

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

2-[3-(2-methylpropyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(4-phenyl-1,3-thiazol-2-yl)propanamide (PubChem CID 4031724) has the molecular formula C24H24N4O2S2 and a molecular weight of 464.62 g/mol. Its IUPAC name is 2-[3-(2-methylpropyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(4-phenyl-1,3-thiazol-2-yl)propanamide.

Molecular Properties

Compound Name2-[3-(2-methylpropyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(4-phenyl-1,3-thiazol-2-yl)propanamide
PubChem CID4031724
Molecular FormulaC24H24N4O2S2
Molecular Weight464.62 g/mol
Exact Mass464.13
IUPAC Name2-[3-(2-methylpropyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(4-phenyl-1,3-thiazol-2-yl)propanamide
SMILESCC(C)Cn1c(SC(C)C(=O)Nc2nc(-c3ccccc3)cs2)nc2ccccc2c1=O
InChIInChI=1S/C24H24N4O2S2/c1-15(2)13-28-22(30)18-11-7-8-12-19(18)26-24(28)32-16(3)21(29)27-23-25-20(14-31-23)17-9-5-4-6-10-17/h4-12,14-16H,13H2,1-3H3,(H,25,27,29)
InChIKeyILMRXNFMAORXFS-UHFFFAOYSA-N
XLogP5.30
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500464.62
LogP ≤ 55.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-(3-ethyl-4-oxoquinazolin-2-yl)sulfanyl-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]propanamide
CID 23914763
2-[3-(furan-2-ylmethyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(4-phenyl-1,3-thiazol-2-yl)propanamide
CID 16510962
2-[3-(2-methylphenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(4-phenyl-1,3-thiazol-2-yl)propanamide
CID 5141315
(2R)-N-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]-2-(4-oxo-3-prop-2-enylquinazolin-2-yl)sulfanylpropanamide
CID 2102706
N-carbamoyl-2-[3-(2-methylpropyl)-4-oxoquinazolin-2-yl]sulfanylpropanamide
CID 3994935
N-cyclopentyl-2-[3-(2-methylpropyl)-4-oxoquinazolin-2-yl]sulfanylpropanamide
CID 3620871
3-(2-methylpropyl)-2-(1-oxo-1-phenylpropan-2-yl)sulfanylquinazolin-4-one
CID 3635647
(2S)-N-(3-methoxyphenyl)-2-[3-(2-methylpropyl)-4-oxoquinazolin-2-yl]sulfanylpropanamide
CID 9360732
(2R)-2-[(4-amino-1,2,4-triazol-3-yl)sulfanyl]-N-(4-phenyl-1,3-thiazol-2-yl)propanamide
CID 7977672
(2R)-2-[1-benzyl-5-(trifluoromethyl)benzimidazol-2-yl]sulfanyl-N-(4-phenyl-1,3-thiazol-2-yl)propanamide
CID 94371570
(2S)-N-ethyl-2-[3-(3-hydroxypropyl)-4-oxoquinazolin-2-yl]sulfanylpropanamide
CID 8603418
(2R)-N-ethyl-2-[3-(3-hydroxypropyl)-4-oxoquinazolin-2-yl]sulfanylpropanamide
CID 8603417

Frequently Asked Questions

What is the IUPAC name of 2-[3-(2-methylpropyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(4-phenyl-1,3-thiazol-2-yl)propanamide?
The IUPAC name of 2-[3-(2-methylpropyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(4-phenyl-1,3-thiazol-2-yl)propanamide (CID 4031724) is 2-[3-(2-methylpropyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(4-phenyl-1,3-thiazol-2-yl)propanamide.
What is the SMILES notation for 2-[3-(2-methylpropyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(4-phenyl-1,3-thiazol-2-yl)propanamide?
The canonical SMILES for 2-[3-(2-methylpropyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(4-phenyl-1,3-thiazol-2-yl)propanamide is CC(C)Cn1c(SC(C)C(=O)Nc2nc(-c3ccccc3)cs2)nc2ccccc2c1=O.
What is the InChIKey of 2-[3-(2-methylpropyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(4-phenyl-1,3-thiazol-2-yl)propanamide?
The InChIKey is ILMRXNFMAORXFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4O2S2/c1-15(2)13-28-22(30)18-11-7-8-12-19(18)26-24(28)32-16(3)21(29)27-23-25-20(14-31-23)17-9-5-4-6-10-17/h4-12,14-16H,13H2,1-3H3,(H,25,27,29).
What are the key properties of 2-[3-(2-methylpropyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(4-phenyl-1,3-thiazol-2-yl)propanamide?
2-[3-(2-methylpropyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(4-phenyl-1,3-thiazol-2-yl)propanamide has a molecular weight of 464.62 g/mol, XLogP of 5.30, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2-methylpropyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(4-phenyl-1,3-thiazol-2-yl)propanamide is sourced from PubChem (CID 4031724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).