2-[4-[2-[2-(ethylsulfonylmethyl)-1,3-thiazol-4-yl]ethyl]phenyl]acetohydrazide

C16H21N3O3S2 — CID 58181353

IUPAC2-[4-[2-[2-(ethylsulfonylmethyl)-1,3-thiazol-4-yl]ethyl]phenyl]acetohydrazide
SMILESCCS(=O)(=O)Cc1nc(CCc2ccc(CC(=O)NN)cc2)cs1
InChIInChI=1S/C16H21N3O3S2/c1-2-24(21,22)11-16-18-14(10-23-16)8-7-12-3-5-13(6-4-12)9-15(20)19-17/h3-6,10H,2,7-9,11,17H2,1H3,(H,19,20)
InChIKeyCLSJPGYIFLSRPN-UHFFFAOYSA-N
MW367.50 g/mol
LogP1.40
Rot. Bonds8

About 2-[4-[2-[2-(ethylsulfonylmethyl)-1,3-thiazol-4-yl]ethyl]phenyl]acetohydrazide

2-[4-[2-[2-(ethylsulfonylmethyl)-1,3-thiazol-4-yl]ethyl]phenyl]acetohydrazide (PubChem CID 58181353) has the molecular formula C16H21N3O3S2 and a molecular weight of 367.50 g/mol. Its IUPAC name is 2-[4-[2-[2-(ethylsulfonylmethyl)-1,3-thiazol-4-yl]ethyl]phenyl]acetohydrazide.

Molecular Properties

Compound Name2-[4-[2-[2-(ethylsulfonylmethyl)-1,3-thiazol-4-yl]ethyl]phenyl]acetohydrazide
PubChem CID58181353
Molecular FormulaC16H21N3O3S2
Molecular Weight367.50 g/mol
Exact Mass367.10
IUPAC Name2-[4-[2-[2-(ethylsulfonylmethyl)-1,3-thiazol-4-yl]ethyl]phenyl]acetohydrazide
SMILESCCS(=O)(=O)Cc1nc(CCc2ccc(CC(=O)NN)cc2)cs1
InChIInChI=1S/C16H21N3O3S2/c1-2-24(21,22)11-16-18-14(10-23-16)8-7-12-3-5-13(6-4-12)9-15(20)19-17/h3-6,10H,2,7-9,11,17H2,1H3,(H,19,20)
InChIKeyCLSJPGYIFLSRPN-UHFFFAOYSA-N
XLogP1.40
TPSA102.15 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.50
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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-[4-[2-[2-(ethylsulfonylmethyl)-1,3-thiazol-4-yl]ethyl]phenyl]acetic acid
CID 58181248
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CID 87242893
N-[4-[2-[4-(2-hydrazinyl-2-oxoethyl)phenyl]ethyl]-1,3-thiazol-2-yl]ethanesulfonamide
CID 44538377
2-[4-[2-[2-(4-acetylpiperazin-1-yl)-1,3-thiazol-4-yl]ethyl]phenyl]acetohydrazide;dihydrochloride
CID 67030732
N-hydroxy-3-[2-[2-(4-methoxyphenyl)ethyl]-1,3-thiazol-4-yl]propanamide
CID 148951442
2-(ethylsulfonylmethyl)-1,3-thiazol-4-amine
CID 117187031
2-[4-[2-(3,4-dimethylphenyl)ethyl]phenyl]acetohydrazide
CID 58181343
2-ethyl-4-[2-(4-nitrophenyl)ethyl]-1,3-thiazole
CID 130435053
ethyl 3-[2-(2,2-dimethylpropyl)-1,3-thiazol-4-yl]propanoate
CID 103485384
2-(2-phenyl-1,3-thiazol-4-yl)acetohydrazide
CID 2740630
2-[2-(aminomethyl)-1,3-thiazol-4-yl]-N-propylacetamide
CID 94256775
2-[4-[2-[6-(4-acetylpiperazin-1-yl)-2-pyridinyl]ethyl]phenyl]acetohydrazide
CID 44538060

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-[2-(ethylsulfonylmethyl)-1,3-thiazol-4-yl]ethyl]phenyl]acetohydrazide?
The IUPAC name of 2-[4-[2-[2-(ethylsulfonylmethyl)-1,3-thiazol-4-yl]ethyl]phenyl]acetohydrazide (CID 58181353) is 2-[4-[2-[2-(ethylsulfonylmethyl)-1,3-thiazol-4-yl]ethyl]phenyl]acetohydrazide.
What is the SMILES notation for 2-[4-[2-[2-(ethylsulfonylmethyl)-1,3-thiazol-4-yl]ethyl]phenyl]acetohydrazide?
The canonical SMILES for 2-[4-[2-[2-(ethylsulfonylmethyl)-1,3-thiazol-4-yl]ethyl]phenyl]acetohydrazide is CCS(=O)(=O)Cc1nc(CCc2ccc(CC(=O)NN)cc2)cs1.
What is the InChIKey of 2-[4-[2-[2-(ethylsulfonylmethyl)-1,3-thiazol-4-yl]ethyl]phenyl]acetohydrazide?
The InChIKey is CLSJPGYIFLSRPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O3S2/c1-2-24(21,22)11-16-18-14(10-23-16)8-7-12-3-5-13(6-4-12)9-15(20)19-17/h3-6,10H,2,7-9,11,17H2,1H3,(H,19,20).
What are the key properties of 2-[4-[2-[2-(ethylsulfonylmethyl)-1,3-thiazol-4-yl]ethyl]phenyl]acetohydrazide?
2-[4-[2-[2-(ethylsulfonylmethyl)-1,3-thiazol-4-yl]ethyl]phenyl]acetohydrazide has a molecular weight of 367.50 g/mol, XLogP of 1.40, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-[2-(ethylsulfonylmethyl)-1,3-thiazol-4-yl]ethyl]phenyl]acetohydrazide is sourced from PubChem (CID 58181353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).