3-[(2-hydrazinyl-1,3-thiazol-5-yl)methyl]quinazolin-4-one

C12H11N5OS — CID 79765160

IUPAC3-[(2-hydrazinyl-1,3-thiazol-5-yl)methyl]quinazolin-4-one
SMILESNNc1ncc(Cn2cnc3ccccc3c2=O)s1
InChIInChI=1S/C12H11N5OS/c13-16-12-14-5-8(19-12)6-17-7-15-10-4-2-1-3-9(10)11(17)18/h1-5,7H,6,13H2,(H,14,16)
InChIKeySHGBUOFYVVCCPW-UHFFFAOYSA-N
MW273.32 g/mol
LogP1.19
Rot. Bonds3

About 3-[(2-hydrazinyl-1,3-thiazol-5-yl)methyl]quinazolin-4-one

3-[(2-hydrazinyl-1,3-thiazol-5-yl)methyl]quinazolin-4-one (PubChem CID 79765160) has the molecular formula C12H11N5OS and a molecular weight of 273.32 g/mol. Its IUPAC name is 3-[(2-hydrazinyl-1,3-thiazol-5-yl)methyl]quinazolin-4-one.

Molecular Properties

Compound Name3-[(2-hydrazinyl-1,3-thiazol-5-yl)methyl]quinazolin-4-one
PubChem CID79765160
Molecular FormulaC12H11N5OS
Molecular Weight273.32 g/mol
Exact Mass273.07
IUPAC Name3-[(2-hydrazinyl-1,3-thiazol-5-yl)methyl]quinazolin-4-one
SMILESNNc1ncc(Cn2cnc3ccccc3c2=O)s1
InChIInChI=1S/C12H11N5OS/c13-16-12-14-5-8(19-12)6-17-7-15-10-4-2-1-3-9(10)11(17)18/h1-5,7H,6,13H2,(H,14,16)
InChIKeySHGBUOFYVVCCPW-UHFFFAOYSA-N
XLogP1.19
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.32
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-(1,3-benzothiazol-2-ylmethyl)quinazolin-4-one
CID 2362738
3-[(6-amino-3-chloro-2-pyridinyl)methyl]quinazolin-4-one
CID 62886832
3-[[2-(butylamino)-1,3-thiazol-5-yl]methyl]-6-chloroquinazolin-4-one
CID 162660199
5-[(4-oxoquinazolin-3-yl)methyl]-1,2-oxazole-3-carbohydrazide
CID 63577398
3-prop-2-ynylquinazolin-4-one
CID 603496
3-[(4-methylphenyl)methyl]quinazolin-4-one
CID 852117
3-[(6-amino-2-pyridinyl)methyl]quinazolin-4-one
CID 79231283
5-[(4-oxoquinazolin-3-yl)methyl]furan-2-carboxylic acid
CID 28824082
3-(2-chloroethyl)quinazolin-4-one
CID 4518743
3-propylquinazolin-4-one
CID 529124
3-(4-aminobutyl)quinazolin-4-one
CID 28823941
3-[(2-phenylphenyl)methyl]quinazolin-4-one
CID 174752260

Frequently Asked Questions

What is the IUPAC name of 3-[(2-hydrazinyl-1,3-thiazol-5-yl)methyl]quinazolin-4-one?
The IUPAC name of 3-[(2-hydrazinyl-1,3-thiazol-5-yl)methyl]quinazolin-4-one (CID 79765160) is 3-[(2-hydrazinyl-1,3-thiazol-5-yl)methyl]quinazolin-4-one.
What is the SMILES notation for 3-[(2-hydrazinyl-1,3-thiazol-5-yl)methyl]quinazolin-4-one?
The canonical SMILES for 3-[(2-hydrazinyl-1,3-thiazol-5-yl)methyl]quinazolin-4-one is NNc1ncc(Cn2cnc3ccccc3c2=O)s1.
What is the InChIKey of 3-[(2-hydrazinyl-1,3-thiazol-5-yl)methyl]quinazolin-4-one?
The InChIKey is SHGBUOFYVVCCPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N5OS/c13-16-12-14-5-8(19-12)6-17-7-15-10-4-2-1-3-9(10)11(17)18/h1-5,7H,6,13H2,(H,14,16).
What are the key properties of 3-[(2-hydrazinyl-1,3-thiazol-5-yl)methyl]quinazolin-4-one?
3-[(2-hydrazinyl-1,3-thiazol-5-yl)methyl]quinazolin-4-one has a molecular weight of 273.32 g/mol, XLogP of 1.19, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-hydrazinyl-1,3-thiazol-5-yl)methyl]quinazolin-4-one is sourced from PubChem (CID 79765160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).