N'-acetyl-2-(2-methylquinazolin-4-yl)sulfanylacetohydrazide

C13H14N4O2S — CID 7133852

IUPACN'-acetyl-2-(2-methylquinazolin-4-yl)sulfanylacetohydrazide
SMILESCC(=O)NNC(=O)CSc1nc(C)nc2ccccc12
InChIInChI=1S/C13H14N4O2S/c1-8-14-11-6-4-3-5-10(11)13(15-8)20-7-12(19)17-16-9(2)18/h3-6H,7H2,1-2H3,(H,16,18)(H,17,19)
InChIKeyCVXYYTONZHRJDN-UHFFFAOYSA-N
MW290.35 g/mol
LogP1.20
Rot. Bonds3

About N'-acetyl-2-(2-methylquinazolin-4-yl)sulfanylacetohydrazide

N'-acetyl-2-(2-methylquinazolin-4-yl)sulfanylacetohydrazide (PubChem CID 7133852) has the molecular formula C13H14N4O2S and a molecular weight of 290.35 g/mol. Its IUPAC name is N'-acetyl-2-(2-methylquinazolin-4-yl)sulfanylacetohydrazide.

Molecular Properties

Compound NameN'-acetyl-2-(2-methylquinazolin-4-yl)sulfanylacetohydrazide
PubChem CID7133852
Molecular FormulaC13H14N4O2S
Molecular Weight290.35 g/mol
Exact Mass290.08
IUPAC NameN'-acetyl-2-(2-methylquinazolin-4-yl)sulfanylacetohydrazide
SMILESCC(=O)NNC(=O)CSc1nc(C)nc2ccccc12
InChIInChI=1S/C13H14N4O2S/c1-8-14-11-6-4-3-5-10(11)13(15-8)20-7-12(19)17-16-9(2)18/h3-6H,7H2,1-2H3,(H,16,18)(H,17,19)
InChIKeyCVXYYTONZHRJDN-UHFFFAOYSA-N
XLogP1.20
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.35
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-fluoro-N'-[2-(2-methylquinazolin-4-yl)sulfanylacetyl]benzohydrazide
CID 7134044
2-(2-methylquinazolin-4-yl)sulfanyl-N-naphthalen-1-ylacetamide
CID 7145516
N-(2,6-dichlorophenyl)-2-(2-methylquinazolin-4-yl)sulfanylacetamide
CID 7145799
N-(2-chlorophenyl)-2-(2-methylquinazolin-4-yl)sulfanylacetamide
CID 7145483
N-(2-methoxyethyl)-2-(2-methylquinazolin-4-yl)sulfanylacetamide
CID 7133990
N,N-dimethyl-2-(2-methylquinazolin-4-yl)sulfanylacetamide
CID 84601738
2-(2-methylquinazolin-4-yl)sulfanyl-N-(4-phenyldiazenylphenyl)acetamide
CID 7210077
2-(2-methylquinazolin-4-yl)sulfanyl-N-[(2R)-4-phenylbutan-2-yl]acetamide
CID 7145553
N-(2-cyanophenyl)-2-(2-methylquinazolin-4-yl)sulfanylacetamide
CID 7145487
2-(2-methylquinazolin-4-yl)sulfanyl-N-[(3-methylthiophen-2-yl)methyl]acetamide
CID 87018027
N-[1-(4-chlorophenyl)ethyl]-2-(2-methylquinazolin-4-yl)sulfanylacetamide
CID 78452790
N-(3-methylbutylcarbamoyl)-2-(2-methylquinazolin-4-yl)sulfanylacetamide
CID 7144886

Frequently Asked Questions

What is the IUPAC name of N'-acetyl-2-(2-methylquinazolin-4-yl)sulfanylacetohydrazide?
The IUPAC name of N'-acetyl-2-(2-methylquinazolin-4-yl)sulfanylacetohydrazide (CID 7133852) is N'-acetyl-2-(2-methylquinazolin-4-yl)sulfanylacetohydrazide.
What is the SMILES notation for N'-acetyl-2-(2-methylquinazolin-4-yl)sulfanylacetohydrazide?
The canonical SMILES for N'-acetyl-2-(2-methylquinazolin-4-yl)sulfanylacetohydrazide is CC(=O)NNC(=O)CSc1nc(C)nc2ccccc12.
What is the InChIKey of N'-acetyl-2-(2-methylquinazolin-4-yl)sulfanylacetohydrazide?
The InChIKey is CVXYYTONZHRJDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4O2S/c1-8-14-11-6-4-3-5-10(11)13(15-8)20-7-12(19)17-16-9(2)18/h3-6H,7H2,1-2H3,(H,16,18)(H,17,19).
What are the key properties of N'-acetyl-2-(2-methylquinazolin-4-yl)sulfanylacetohydrazide?
N'-acetyl-2-(2-methylquinazolin-4-yl)sulfanylacetohydrazide has a molecular weight of 290.35 g/mol, XLogP of 1.20, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-acetyl-2-(2-methylquinazolin-4-yl)sulfanylacetohydrazide is sourced from PubChem (CID 7133852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).