(2S)-2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]-1-methyl-2,3-dihydroquinazolin-4-one

C19H17N3O2S — CID 25347209

IUPAC(2S)-2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]-1-methyl-2,3-dihydroquinazolin-4-one
SMILESCOc1ccc(-c2nc([C@H]3NC(=O)c4ccccc4N3C)cs2)cc1
InChIInChI=1S/C19H17N3O2S/c1-22-16-6-4-3-5-14(16)18(23)21-17(22)15-11-25-19(20-15)12-7-9-13(24-2)10-8-12/h3-11,17H,1-2H3,(H,21,23)/t17-/m0/s1
InChIKeyPRNNRISMHLSIMK-KRWDZBQOSA-N
MW351.43 g/mol
LogP3.70
Rot. Bonds3

About (2S)-2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]-1-methyl-2,3-dihydroquinazolin-4-one

(2S)-2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]-1-methyl-2,3-dihydroquinazolin-4-one (PubChem CID 25347209) has the molecular formula C19H17N3O2S and a molecular weight of 351.43 g/mol. Its IUPAC name is (2S)-2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]-1-methyl-2,3-dihydroquinazolin-4-one.

Molecular Properties

Compound Name(2S)-2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]-1-methyl-2,3-dihydroquinazolin-4-one
PubChem CID25347209
Molecular FormulaC19H17N3O2S
Molecular Weight351.43 g/mol
Exact Mass351.10
IUPAC Name(2S)-2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]-1-methyl-2,3-dihydroquinazolin-4-one
SMILESCOc1ccc(-c2nc([C@H]3NC(=O)c4ccccc4N3C)cs2)cc1
InChIInChI=1S/C19H17N3O2S/c1-22-16-6-4-3-5-14(16)18(23)21-17(22)15-11-25-19(20-15)12-7-9-13(24-2)10-8-12/h3-11,17H,1-2H3,(H,21,23)/t17-/m0/s1
InChIKeyPRNNRISMHLSIMK-KRWDZBQOSA-N
XLogP3.70
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.43
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]-1-methyl-2,3-dihydroquinazolin-4-one?
The IUPAC name of (2S)-2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]-1-methyl-2,3-dihydroquinazolin-4-one (CID 25347209) is (2S)-2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]-1-methyl-2,3-dihydroquinazolin-4-one.
What is the SMILES notation for (2S)-2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]-1-methyl-2,3-dihydroquinazolin-4-one?
The canonical SMILES for (2S)-2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]-1-methyl-2,3-dihydroquinazolin-4-one is COc1ccc(-c2nc([C@H]3NC(=O)c4ccccc4N3C)cs2)cc1.
What is the InChIKey of (2S)-2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]-1-methyl-2,3-dihydroquinazolin-4-one?
The InChIKey is PRNNRISMHLSIMK-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H17N3O2S/c1-22-16-6-4-3-5-14(16)18(23)21-17(22)15-11-25-19(20-15)12-7-9-13(24-2)10-8-12/h3-11,17H,1-2H3,(H,21,23)/t17-/m0/s1.
What are the key properties of (2S)-2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]-1-methyl-2,3-dihydroquinazolin-4-one?
(2S)-2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]-1-methyl-2,3-dihydroquinazolin-4-one has a molecular weight of 351.43 g/mol, XLogP of 3.70, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]-1-methyl-2,3-dihydroquinazolin-4-one is sourced from PubChem (CID 25347209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).