(2S)-3-cyclopropyl-2-(2-phenyl-1,3-thiazol-4-yl)-1,2-dihydroquinazolin-4-one

C20H17N3OS — CID 25350895

IUPAC(2S)-3-cyclopropyl-2-(2-phenyl-1,3-thiazol-4-yl)-1,2-dihydroquinazolin-4-one
SMILESO=C1c2ccccc2N[C@H](c2csc(-c3ccccc3)n2)N1C1CC1
InChIInChI=1S/C20H17N3OS/c24-20-15-8-4-5-9-16(15)21-18(23(20)14-10-11-14)17-12-25-19(22-17)13-6-2-1-3-7-13/h1-9,12,14,18,21H,10-11H2/t18-/m0/s1
InChIKeyUIZHUKKAQKTDHM-SFHVURJKSA-N
MW347.44 g/mol
LogP4.54
Rot. Bonds3

About (2S)-3-cyclopropyl-2-(2-phenyl-1,3-thiazol-4-yl)-1,2-dihydroquinazolin-4-one

(2S)-3-cyclopropyl-2-(2-phenyl-1,3-thiazol-4-yl)-1,2-dihydroquinazolin-4-one (PubChem CID 25350895) has the molecular formula C20H17N3OS and a molecular weight of 347.44 g/mol. Its IUPAC name is (2S)-3-cyclopropyl-2-(2-phenyl-1,3-thiazol-4-yl)-1,2-dihydroquinazolin-4-one.

Molecular Properties

Compound Name(2S)-3-cyclopropyl-2-(2-phenyl-1,3-thiazol-4-yl)-1,2-dihydroquinazolin-4-one
PubChem CID25350895
Molecular FormulaC20H17N3OS
Molecular Weight347.44 g/mol
Exact Mass347.11
IUPAC Name(2S)-3-cyclopropyl-2-(2-phenyl-1,3-thiazol-4-yl)-1,2-dihydroquinazolin-4-one
SMILESO=C1c2ccccc2N[C@H](c2csc(-c3ccccc3)n2)N1C1CC1
InChIInChI=1S/C20H17N3OS/c24-20-15-8-4-5-9-16(15)21-18(23(20)14-10-11-14)17-12-25-19(22-17)13-6-2-1-3-7-13/h1-9,12,14,18,21H,10-11H2/t18-/m0/s1
InChIKeyUIZHUKKAQKTDHM-SFHVURJKSA-N
XLogP4.54
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.44
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (2S)-3-cyclopropyl-2-(2-phenyl-1,3-thiazol-4-yl)-1,2-dihydroquinazolin-4-one with MolForge

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Related Compounds

(2S)-3-cyclopropyl-2-imidazo[1,2-a]pyridin-2-yl-1,2-dihydroquinazolin-4-one
CID 94821654
(2S)-3-cyclopropyl-2-thiophen-2-yl-1,2-dihydroquinazolin-4-one
CID 9008862
2-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]-3-(2-methoxyethyl)-1,2-dihydroquinazolin-4-one
CID 42938244
(2S)-2-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]-3-(furan-2-ylmethyl)-1,2-dihydroquinazolin-4-one
CID 41119021
(2S)-3-cyclopropyl-2-(4-fluorophenyl)-1,2-dihydroquinazolin-4-one
CID 9008606
(2R)-2-(5-bromothiophen-2-yl)-3-cyclopropyl-1,2-dihydroquinazolin-4-one
CID 9008829
(2R)-3-(furan-2-ylmethyl)-2-[2-(3-methoxyphenyl)-1,3-thiazol-4-yl]-1,2-dihydroquinazolin-4-one
CID 40954308
(2R)-3-cyclopentyl-2-pyridin-4-yl-1,2-dihydroquinazolin-4-one
CID 51454335
(2S)-3-cyclopropyl-2-[4-(trifluoromethyl)phenyl]-1,2-dihydroquinazolin-4-one
CID 9008618
(2S)-3-cyclopropyl-2-(3-hydroxyphenyl)-1,2-dihydroquinazolin-4-one
CID 9008682
3-cyclopropyl-2-(4-hydroxy-3,5-dimethylphenyl)-1,2-dihydroquinazolin-4-one
CID 84899990
(2S)-3-cyclopropyl-2-(2,4-dihydroxyphenyl)-1,2-dihydroquinazolin-4-one
CID 9008561

Frequently Asked Questions

What is the IUPAC name of (2S)-3-cyclopropyl-2-(2-phenyl-1,3-thiazol-4-yl)-1,2-dihydroquinazolin-4-one?
The IUPAC name of (2S)-3-cyclopropyl-2-(2-phenyl-1,3-thiazol-4-yl)-1,2-dihydroquinazolin-4-one (CID 25350895) is (2S)-3-cyclopropyl-2-(2-phenyl-1,3-thiazol-4-yl)-1,2-dihydroquinazolin-4-one.
What is the SMILES notation for (2S)-3-cyclopropyl-2-(2-phenyl-1,3-thiazol-4-yl)-1,2-dihydroquinazolin-4-one?
The canonical SMILES for (2S)-3-cyclopropyl-2-(2-phenyl-1,3-thiazol-4-yl)-1,2-dihydroquinazolin-4-one is O=C1c2ccccc2N[C@H](c2csc(-c3ccccc3)n2)N1C1CC1.
What is the InChIKey of (2S)-3-cyclopropyl-2-(2-phenyl-1,3-thiazol-4-yl)-1,2-dihydroquinazolin-4-one?
The InChIKey is UIZHUKKAQKTDHM-SFHVURJKSA-N. The full InChI is InChI=1S/C20H17N3OS/c24-20-15-8-4-5-9-16(15)21-18(23(20)14-10-11-14)17-12-25-19(22-17)13-6-2-1-3-7-13/h1-9,12,14,18,21H,10-11H2/t18-/m0/s1.
What are the key properties of (2S)-3-cyclopropyl-2-(2-phenyl-1,3-thiazol-4-yl)-1,2-dihydroquinazolin-4-one?
(2S)-3-cyclopropyl-2-(2-phenyl-1,3-thiazol-4-yl)-1,2-dihydroquinazolin-4-one has a molecular weight of 347.44 g/mol, XLogP of 4.54, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-cyclopropyl-2-(2-phenyl-1,3-thiazol-4-yl)-1,2-dihydroquinazolin-4-one is sourced from PubChem (CID 25350895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).