(2S)-3-(2-methoxyphenyl)-2-(1,3-thiazol-5-yl)-1,2-dihydroquinazolin-4-one

C18H15N3O2S — CID 97324736

IUPAC(2S)-3-(2-methoxyphenyl)-2-(1,3-thiazol-5-yl)-1,2-dihydroquinazolin-4-one
SMILESCOc1ccccc1N1C(=O)c2ccccc2N[C@@H]1c1cncs1
InChIInChI=1S/C18H15N3O2S/c1-23-15-9-5-4-8-14(15)21-17(16-10-19-11-24-16)20-13-7-3-2-6-12(13)18(21)22/h2-11,17,20H,1H3/t17-/m0/s1
InChIKeyXMRASMBLLOEMKS-KRWDZBQOSA-N
MW337.40 g/mol
LogP3.92
Rot. Bonds3

About (2S)-3-(2-methoxyphenyl)-2-(1,3-thiazol-5-yl)-1,2-dihydroquinazolin-4-one

(2S)-3-(2-methoxyphenyl)-2-(1,3-thiazol-5-yl)-1,2-dihydroquinazolin-4-one (PubChem CID 97324736) has the molecular formula C18H15N3O2S and a molecular weight of 337.40 g/mol. Its IUPAC name is (2S)-3-(2-methoxyphenyl)-2-(1,3-thiazol-5-yl)-1,2-dihydroquinazolin-4-one.

Molecular Properties

Compound Name(2S)-3-(2-methoxyphenyl)-2-(1,3-thiazol-5-yl)-1,2-dihydroquinazolin-4-one
PubChem CID97324736
Molecular FormulaC18H15N3O2S
Molecular Weight337.40 g/mol
Exact Mass337.09
IUPAC Name(2S)-3-(2-methoxyphenyl)-2-(1,3-thiazol-5-yl)-1,2-dihydroquinazolin-4-one
SMILESCOc1ccccc1N1C(=O)c2ccccc2N[C@@H]1c1cncs1
InChIInChI=1S/C18H15N3O2S/c1-23-15-9-5-4-8-14(15)21-17(16-10-19-11-24-16)20-13-7-3-2-6-12(13)18(21)22/h2-11,17,20H,1H3/t17-/m0/s1
InChIKeyXMRASMBLLOEMKS-KRWDZBQOSA-N
XLogP3.92
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.40
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2S)-3-(2-methoxyphenyl)-2-(1,3-thiazol-5-yl)-1,2-dihydroquinazolin-4-one?
The IUPAC name of (2S)-3-(2-methoxyphenyl)-2-(1,3-thiazol-5-yl)-1,2-dihydroquinazolin-4-one (CID 97324736) is (2S)-3-(2-methoxyphenyl)-2-(1,3-thiazol-5-yl)-1,2-dihydroquinazolin-4-one.
What is the SMILES notation for (2S)-3-(2-methoxyphenyl)-2-(1,3-thiazol-5-yl)-1,2-dihydroquinazolin-4-one?
The canonical SMILES for (2S)-3-(2-methoxyphenyl)-2-(1,3-thiazol-5-yl)-1,2-dihydroquinazolin-4-one is COc1ccccc1N1C(=O)c2ccccc2N[C@@H]1c1cncs1.
What is the InChIKey of (2S)-3-(2-methoxyphenyl)-2-(1,3-thiazol-5-yl)-1,2-dihydroquinazolin-4-one?
The InChIKey is XMRASMBLLOEMKS-KRWDZBQOSA-N. The full InChI is InChI=1S/C18H15N3O2S/c1-23-15-9-5-4-8-14(15)21-17(16-10-19-11-24-16)20-13-7-3-2-6-12(13)18(21)22/h2-11,17,20H,1H3/t17-/m0/s1.
What are the key properties of (2S)-3-(2-methoxyphenyl)-2-(1,3-thiazol-5-yl)-1,2-dihydroquinazolin-4-one?
(2S)-3-(2-methoxyphenyl)-2-(1,3-thiazol-5-yl)-1,2-dihydroquinazolin-4-one has a molecular weight of 337.40 g/mol, XLogP of 3.92, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-(2-methoxyphenyl)-2-(1,3-thiazol-5-yl)-1,2-dihydroquinazolin-4-one is sourced from PubChem (CID 97324736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).