2-(2-hydrazinyl-2-oxoethyl)sulfonyl-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]acetamide

C14H16N4O4S2 — CID 139232676

IUPAC2-(2-hydrazinyl-2-oxoethyl)sulfonyl-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]acetamide
SMILESCc1ccc(-c2csc(NC(=O)CS(=O)(=O)CC(=O)NN)n2)cc1
InChIInChI=1S/C14H16N4O4S2/c1-9-2-4-10(5-3-9)11-6-23-14(16-11)17-12(19)7-24(21,22)8-13(20)18-15/h2-6H,7-8,15H2,1H3,(H,18,20)(H,16,17,19)
InChIKeyRQMBPVIXDPLBHL-UHFFFAOYSA-N
MW368.44 g/mol
LogP0.46
Rot. Bonds6

About 2-(2-hydrazinyl-2-oxoethyl)sulfonyl-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]acetamide

2-(2-hydrazinyl-2-oxoethyl)sulfonyl-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]acetamide (PubChem CID 139232676) has the molecular formula C14H16N4O4S2 and a molecular weight of 368.44 g/mol. Its IUPAC name is 2-(2-hydrazinyl-2-oxoethyl)sulfonyl-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound Name2-(2-hydrazinyl-2-oxoethyl)sulfonyl-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]acetamide
PubChem CID139232676
Molecular FormulaC14H16N4O4S2
Molecular Weight368.44 g/mol
Exact Mass368.06
IUPAC Name2-(2-hydrazinyl-2-oxoethyl)sulfonyl-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]acetamide
SMILESCc1ccc(-c2csc(NC(=O)CS(=O)(=O)CC(=O)NN)n2)cc1
InChIInChI=1S/C14H16N4O4S2/c1-9-2-4-10(5-3-9)11-6-23-14(16-11)17-12(19)7-24(21,22)8-13(20)18-15/h2-6H,7-8,15H2,1H3,(H,18,20)(H,16,17,19)
InChIKeyRQMBPVIXDPLBHL-UHFFFAOYSA-N
XLogP0.46
TPSA131.25 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.44
LogP ≤ 50.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

2-[(Z)-2-(4-methylphenyl)ethenyl]sulfonyl-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]acetamide
CID 102135033
2-(4-chlorophenyl)sulfonyl-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]acetamide
CID 7543926
[2-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] butanoate
CID 2629045
2-(4-methylphenyl)-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)acetamide
CID 43951124
[2-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] 4-methylpentanoate
CID 7848069
N-[4-[4-(methanesulfonamido)phenyl]-1,3-thiazol-2-yl]-2-(4-methylphenyl)acetamide
CID 24568469
2-(4-chlorophenyl)-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]acetamide
CID 844056
N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]hexadecanamide
CID 4161318
2-(cyclopropylmethylamino)-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]acetamide
CID 119676910
2-[cyclopropyl(2-hydroxyethyl)amino]-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]acetamide
CID 110906790
N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-2-(3-methylphenyl)sulfonylacetamide
CID 1479354
N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-2-(4-propan-2-ylphenyl)acetamide
CID 43951183

Frequently Asked Questions

What is the IUPAC name of 2-(2-hydrazinyl-2-oxoethyl)sulfonyl-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]acetamide?
The IUPAC name of 2-(2-hydrazinyl-2-oxoethyl)sulfonyl-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]acetamide (CID 139232676) is 2-(2-hydrazinyl-2-oxoethyl)sulfonyl-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for 2-(2-hydrazinyl-2-oxoethyl)sulfonyl-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for 2-(2-hydrazinyl-2-oxoethyl)sulfonyl-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]acetamide is Cc1ccc(-c2csc(NC(=O)CS(=O)(=O)CC(=O)NN)n2)cc1.
What is the InChIKey of 2-(2-hydrazinyl-2-oxoethyl)sulfonyl-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]acetamide?
The InChIKey is RQMBPVIXDPLBHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O4S2/c1-9-2-4-10(5-3-9)11-6-23-14(16-11)17-12(19)7-24(21,22)8-13(20)18-15/h2-6H,7-8,15H2,1H3,(H,18,20)(H,16,17,19).
What are the key properties of 2-(2-hydrazinyl-2-oxoethyl)sulfonyl-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]acetamide?
2-(2-hydrazinyl-2-oxoethyl)sulfonyl-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]acetamide has a molecular weight of 368.44 g/mol, XLogP of 0.46, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydrazinyl-2-oxoethyl)sulfonyl-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 139232676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).