(2S)-2-[2-(phenoxymethyl)-1,3-thiazol-4-yl]-2,3-dihydro-1H-quinazolin-4-one

C18H15N3O2S — CID 94866819

IUPAC(2S)-2-[2-(phenoxymethyl)-1,3-thiazol-4-yl]-2,3-dihydro-1H-quinazolin-4-one
SMILESO=C1N[C@@H](c2csc(COc3ccccc3)n2)Nc2ccccc21
InChIInChI=1S/C18H15N3O2S/c22-18-13-8-4-5-9-14(13)20-17(21-18)15-11-24-16(19-15)10-23-12-6-2-1-3-7-12/h1-9,11,17,20H,10H2,(H,21,22)/t17-/m0/s1
InChIKeyBORCYKPAIUCFOP-KRWDZBQOSA-N
MW337.40 g/mol
LogP3.58
Rot. Bonds4

About (2S)-2-[2-(phenoxymethyl)-1,3-thiazol-4-yl]-2,3-dihydro-1H-quinazolin-4-one

(2S)-2-[2-(phenoxymethyl)-1,3-thiazol-4-yl]-2,3-dihydro-1H-quinazolin-4-one (PubChem CID 94866819) has the molecular formula C18H15N3O2S and a molecular weight of 337.40 g/mol. Its IUPAC name is (2S)-2-[2-(phenoxymethyl)-1,3-thiazol-4-yl]-2,3-dihydro-1H-quinazolin-4-one.

Molecular Properties

Compound Name(2S)-2-[2-(phenoxymethyl)-1,3-thiazol-4-yl]-2,3-dihydro-1H-quinazolin-4-one
PubChem CID94866819
Molecular FormulaC18H15N3O2S
Molecular Weight337.40 g/mol
Exact Mass337.09
IUPAC Name(2S)-2-[2-(phenoxymethyl)-1,3-thiazol-4-yl]-2,3-dihydro-1H-quinazolin-4-one
SMILESO=C1N[C@@H](c2csc(COc3ccccc3)n2)Nc2ccccc21
InChIInChI=1S/C18H15N3O2S/c22-18-13-8-4-5-9-14(13)20-17(21-18)15-11-24-16(19-15)10-23-12-6-2-1-3-7-12/h1-9,11,17,20H,10H2,(H,21,22)/t17-/m0/s1
InChIKeyBORCYKPAIUCFOP-KRWDZBQOSA-N
XLogP3.58
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.40
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (2S)-2-[2-(phenoxymethyl)-1,3-thiazol-4-yl]-2,3-dihydro-1H-quinazolin-4-one with MolForge

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Related Compounds

4-[(2-methyl-1,3-thiazol-4-yl)methoxy]-N-(2-morpholin-4-ylphenyl)benzamide
CID 9265972
3,4-dihydro-2H-quinolin-1-yl-[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]methanone
CID 24234808
(4-(2-Fluorophenyl)piperazin-1-yl)(4-((4-methylthiazol-2-yl)methoxy)phenyl)methanone
CID 52417296
N-(4-fluorophenyl)-2-[4-[2-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoyl]piperazin-1-yl]acetamide
CID 24515769
N-(3-fluorophenyl)-2-[4-[2-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoyl]piperazin-1-yl]acetamide
CID 24517630
4-[6-(1,3-Difluoropropan-2-yloxy)-2,4-dioxo-3-[(2-phenyl-1,3-thiazol-4-yl)methyl]quinazolin-1-yl]piperidine-1-carbaldehyde
CID 59587172
N-[4-(2,3-dihydro-1,4-benzoxazin-4-ylmethyl)-2-(3-fluoropropylcarbamoyl)phenyl]-2-[(3S)-3-methoxypyrrolidin-1-yl]-1,3-thiazole-4-carboxamide
CID 70870035
4-(3-fluorophenoxy)-N-[3-(1,3-thiazol-4-ylmethylcarbamoyl)phenyl]piperidine-1-carboxamide
CID 145485945
N-[4-(2,3-dihydro-1,4-benzoxazin-4-ylmethyl)-2-(3-fluoropropylcarbamoyl)phenyl]-2-[(3R)-3-methoxy-3-methylpyrrolidin-1-yl]-1,3-thiazole-4-carboxamide
CID 163809407
N-[2-[[4-[2-[4-(2-ethoxyphenyl)piperazin-1-yl]-2-oxoethyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]-4-fluoro-N-(2-methylpropyl)benzamide
CID 3622709
N-[2-[[4-[2-[4-(2-ethoxyphenyl)piperazin-1-yl]-2-oxoethyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]-4-fluoro-N-(2-methoxyethyl)benzamide
CID 5082011
[4-(4-Fluorophenyl)piperazin-1-yl]-[4-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]methanone
CID 9207300

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[2-(phenoxymethyl)-1,3-thiazol-4-yl]-2,3-dihydro-1H-quinazolin-4-one?
The IUPAC name of (2S)-2-[2-(phenoxymethyl)-1,3-thiazol-4-yl]-2,3-dihydro-1H-quinazolin-4-one (CID 94866819) is (2S)-2-[2-(phenoxymethyl)-1,3-thiazol-4-yl]-2,3-dihydro-1H-quinazolin-4-one.
What is the SMILES notation for (2S)-2-[2-(phenoxymethyl)-1,3-thiazol-4-yl]-2,3-dihydro-1H-quinazolin-4-one?
The canonical SMILES for (2S)-2-[2-(phenoxymethyl)-1,3-thiazol-4-yl]-2,3-dihydro-1H-quinazolin-4-one is O=C1N[C@@H](c2csc(COc3ccccc3)n2)Nc2ccccc21.
What is the InChIKey of (2S)-2-[2-(phenoxymethyl)-1,3-thiazol-4-yl]-2,3-dihydro-1H-quinazolin-4-one?
The InChIKey is BORCYKPAIUCFOP-KRWDZBQOSA-N. The full InChI is InChI=1S/C18H15N3O2S/c22-18-13-8-4-5-9-14(13)20-17(21-18)15-11-24-16(19-15)10-23-12-6-2-1-3-7-12/h1-9,11,17,20H,10H2,(H,21,22)/t17-/m0/s1.
What are the key properties of (2S)-2-[2-(phenoxymethyl)-1,3-thiazol-4-yl]-2,3-dihydro-1H-quinazolin-4-one?
(2S)-2-[2-(phenoxymethyl)-1,3-thiazol-4-yl]-2,3-dihydro-1H-quinazolin-4-one has a molecular weight of 337.40 g/mol, XLogP of 3.58, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[2-(phenoxymethyl)-1,3-thiazol-4-yl]-2,3-dihydro-1H-quinazolin-4-one is sourced from PubChem (CID 94866819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).