N-ethyl-2-(2-hydrazinylquinazolin-4-yl)sulfanylacetamide

C12H15N5OS — CID 114235259

IUPACN-ethyl-2-(2-hydrazinylquinazolin-4-yl)sulfanylacetamide
SMILESCCNC(=O)CSc1nc(NN)nc2ccccc12
InChIInChI=1S/C12H15N5OS/c1-2-14-10(18)7-19-11-8-5-3-4-6-9(8)15-12(16-11)17-13/h3-6H,2,7,13H2,1H3,(H,14,18)(H,15,16,17)
InChIKeyJDRCHUMJFWGOPO-UHFFFAOYSA-N
MW277.35 g/mol
LogP1.14
Rot. Bonds5

About N-ethyl-2-(2-hydrazinylquinazolin-4-yl)sulfanylacetamide

N-ethyl-2-(2-hydrazinylquinazolin-4-yl)sulfanylacetamide (PubChem CID 114235259) has the molecular formula C12H15N5OS and a molecular weight of 277.35 g/mol. Its IUPAC name is N-ethyl-2-(2-hydrazinylquinazolin-4-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-ethyl-2-(2-hydrazinylquinazolin-4-yl)sulfanylacetamide
PubChem CID114235259
Molecular FormulaC12H15N5OS
Molecular Weight277.35 g/mol
Exact Mass277.10
IUPAC NameN-ethyl-2-(2-hydrazinylquinazolin-4-yl)sulfanylacetamide
SMILESCCNC(=O)CSc1nc(NN)nc2ccccc12
InChIInChI=1S/C12H15N5OS/c1-2-14-10(18)7-19-11-8-5-3-4-6-9(8)15-12(16-11)17-13/h3-6H,2,7,13H2,1H3,(H,14,18)(H,15,16,17)
InChIKeyJDRCHUMJFWGOPO-UHFFFAOYSA-N
XLogP1.14
TPSA92.93 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.35
LogP ≤ 51.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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

N-ethyl-2-(2-hydrazinyl-6-methylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetamide
CID 114235252
N,N-diethyl-2-(2-hydrazinylquinazolin-4-yl)sulfanylethanamine
CID 80930019
N-ethyl-2-(3-methyl-4-oxoquinazolin-2-yl)sulfanylacetamide
CID 3895819
N-(2-methoxyethyl)-2-(2-methylquinazolin-4-yl)sulfanylacetamide
CID 7133990
N-ethyl-2-[[2-(methylamino)quinazolin-4-yl]amino]acetamide
CID 80787683
N'-acetyl-2-(2-methylquinazolin-4-yl)sulfanylacetohydrazide
CID 7133852
N-ethyl-2-[3-(2-fluorophenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
CID 2696020
2-(2-methylquinazolin-4-yl)sulfanyl-N-[(3-methylthiophen-2-yl)methyl]acetamide
CID 87018027
2-[(2-hydrazinylquinazolin-4-yl)amino]-N-propylpropanamide
CID 80901097
ethyl 2-[[2-(2-cyclohexylquinazolin-4-yl)sulfanylacetyl]amino]acetate
CID 3206394
N-(4-fluorophenyl)-2-[[2-(2-methylquinazolin-4-yl)sulfanylacetyl]amino]acetamide
CID 7145882
2-[(2-hydrazinylquinazolin-4-yl)-methylamino]propan-1-ol
CID 104557153

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(2-hydrazinylquinazolin-4-yl)sulfanylacetamide?
The IUPAC name of N-ethyl-2-(2-hydrazinylquinazolin-4-yl)sulfanylacetamide (CID 114235259) is N-ethyl-2-(2-hydrazinylquinazolin-4-yl)sulfanylacetamide.
What is the SMILES notation for N-ethyl-2-(2-hydrazinylquinazolin-4-yl)sulfanylacetamide?
The canonical SMILES for N-ethyl-2-(2-hydrazinylquinazolin-4-yl)sulfanylacetamide is CCNC(=O)CSc1nc(NN)nc2ccccc12.
What is the InChIKey of N-ethyl-2-(2-hydrazinylquinazolin-4-yl)sulfanylacetamide?
The InChIKey is JDRCHUMJFWGOPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5OS/c1-2-14-10(18)7-19-11-8-5-3-4-6-9(8)15-12(16-11)17-13/h3-6H,2,7,13H2,1H3,(H,14,18)(H,15,16,17).
What are the key properties of N-ethyl-2-(2-hydrazinylquinazolin-4-yl)sulfanylacetamide?
N-ethyl-2-(2-hydrazinylquinazolin-4-yl)sulfanylacetamide has a molecular weight of 277.35 g/mol, XLogP of 1.14, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(2-hydrazinylquinazolin-4-yl)sulfanylacetamide is sourced from PubChem (CID 114235259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).