3-(1,3-benzothiazol-2-ylmethyl)quinazolin-4-one

C16H11N3OS — CID 2362738

IUPAC3-(1,3-benzothiazol-2-ylmethyl)quinazolin-4-one
SMILESO=c1c2ccccc2ncn1Cc1nc2ccccc2s1
InChIInChI=1S/C16H11N3OS/c20-16-11-5-1-2-6-12(11)17-10-19(16)9-15-18-13-7-3-4-8-14(13)21-15/h1-8,10H,9H2
InChIKeyGDJIXDZBTZPDTD-UHFFFAOYSA-N
MW293.35 g/mol
LogP3.05
Rot. Bonds2

About 3-(1,3-benzothiazol-2-ylmethyl)quinazolin-4-one

3-(1,3-benzothiazol-2-ylmethyl)quinazolin-4-one (PubChem CID 2362738) has the molecular formula C16H11N3OS and a molecular weight of 293.35 g/mol. Its IUPAC name is 3-(1,3-benzothiazol-2-ylmethyl)quinazolin-4-one.

Molecular Properties

Compound Name3-(1,3-benzothiazol-2-ylmethyl)quinazolin-4-one
PubChem CID2362738
Molecular FormulaC16H11N3OS
Molecular Weight293.35 g/mol
Exact Mass293.06
IUPAC Name3-(1,3-benzothiazol-2-ylmethyl)quinazolin-4-one
SMILESO=c1c2ccccc2ncn1Cc1nc2ccccc2s1
InChIInChI=1S/C16H11N3OS/c20-16-11-5-1-2-6-12(11)17-10-19(16)9-15-18-13-7-3-4-8-14(13)21-15/h1-8,10H,9H2
InChIKeyGDJIXDZBTZPDTD-UHFFFAOYSA-N
XLogP3.05
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.35
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-(1,3-benzothiazol-2-ylmethyl)-7-methylthieno[3,2-d]pyrimidin-4-one
CID 102685839
3-[(4-methylphenyl)methyl]quinazolin-4-one
CID 852117
N-(1,3-benzothiazol-2-yl)-N-ethyl-3-(4-oxoquinazolin-3-yl)propanamide
CID 16573180
3-[(6-amino-2-pyridinyl)methyl]quinazolin-4-one
CID 79231283
3-(3-amino-2-hydroxypropyl)quinazolin-4-one
CID 43212309
3-[(2-hydrazinyl-1,3-thiazol-5-yl)methyl]quinazolin-4-one
CID 79765160
N-(1,3-benzothiazol-2-yl)-3-[[2-(4-oxoquinazolin-3-yl)acetyl]amino]propanamide
CID 126478675
3-(2-chloroethyl)quinazolin-4-one
CID 4518743
3-propylquinazolin-4-one
CID 529124
3-[(2-phenylphenyl)methyl]quinazolin-4-one
CID 174752260
N-[(6-nitro-1,3-benzothiazol-2-yl)methyl]-2-(4-oxoquinazolin-3-yl)acetamide
CID 118713610
3-prop-2-ynylquinazolin-4-one
CID 603496

Frequently Asked Questions

What is the IUPAC name of 3-(1,3-benzothiazol-2-ylmethyl)quinazolin-4-one?
The IUPAC name of 3-(1,3-benzothiazol-2-ylmethyl)quinazolin-4-one (CID 2362738) is 3-(1,3-benzothiazol-2-ylmethyl)quinazolin-4-one.
What is the SMILES notation for 3-(1,3-benzothiazol-2-ylmethyl)quinazolin-4-one?
The canonical SMILES for 3-(1,3-benzothiazol-2-ylmethyl)quinazolin-4-one is O=c1c2ccccc2ncn1Cc1nc2ccccc2s1.
What is the InChIKey of 3-(1,3-benzothiazol-2-ylmethyl)quinazolin-4-one?
The InChIKey is GDJIXDZBTZPDTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11N3OS/c20-16-11-5-1-2-6-12(11)17-10-19(16)9-15-18-13-7-3-4-8-14(13)21-15/h1-8,10H,9H2.
What are the key properties of 3-(1,3-benzothiazol-2-ylmethyl)quinazolin-4-one?
3-(1,3-benzothiazol-2-ylmethyl)quinazolin-4-one has a molecular weight of 293.35 g/mol, XLogP of 3.05, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,3-benzothiazol-2-ylmethyl)quinazolin-4-one is sourced from PubChem (CID 2362738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).