N'-(4-ethoxyphenyl)sulfonyl-2-thiophen-3-yl-1,3-thiazole-4-carbohydrazide

C16H15N3O4S3 — CID 9083645

IUPACN'-(4-ethoxyphenyl)sulfonyl-2-thiophen-3-yl-1,3-thiazole-4-carbohydrazide
SMILESCCOc1ccc(S(=O)(=O)NNC(=O)c2csc(-c3ccsc3)n2)cc1
InChIInChI=1S/C16H15N3O4S3/c1-2-23-12-3-5-13(6-4-12)26(21,22)19-18-15(20)14-10-25-16(17-14)11-7-8-24-9-11/h3-10,19H,2H2,1H3,(H,18,20)
InChIKeyAQIMQJPLWVXLDF-UHFFFAOYSA-N
MW409.51 g/mol
LogP2.89
Rot. Bonds7

About N'-(4-ethoxyphenyl)sulfonyl-2-thiophen-3-yl-1,3-thiazole-4-carbohydrazide

N'-(4-ethoxyphenyl)sulfonyl-2-thiophen-3-yl-1,3-thiazole-4-carbohydrazide (PubChem CID 9083645) has the molecular formula C16H15N3O4S3 and a molecular weight of 409.51 g/mol. Its IUPAC name is N'-(4-ethoxyphenyl)sulfonyl-2-thiophen-3-yl-1,3-thiazole-4-carbohydrazide.

Molecular Properties

Compound NameN'-(4-ethoxyphenyl)sulfonyl-2-thiophen-3-yl-1,3-thiazole-4-carbohydrazide
PubChem CID9083645
Molecular FormulaC16H15N3O4S3
Molecular Weight409.51 g/mol
Exact Mass409.02
IUPAC NameN'-(4-ethoxyphenyl)sulfonyl-2-thiophen-3-yl-1,3-thiazole-4-carbohydrazide
SMILESCCOc1ccc(S(=O)(=O)NNC(=O)c2csc(-c3ccsc3)n2)cc1
InChIInChI=1S/C16H15N3O4S3/c1-2-23-12-3-5-13(6-4-12)26(21,22)19-18-15(20)14-10-25-16(17-14)11-7-8-24-9-11/h3-10,19H,2H2,1H3,(H,18,20)
InChIKeyAQIMQJPLWVXLDF-UHFFFAOYSA-N
XLogP2.89
TPSA97.39 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.51
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

N'-[2-(4-cyanophenoxy)acetyl]-2-thiophen-3-yl-1,3-thiazole-4-carbohydrazide
CID 9085814
N-ethyl-2-thiophen-3-yl-1,3-thiazole-4-carboxamide
CID 51229416
2-(4-ethoxyphenyl)-N'-(2-phenylacetyl)-1,3-thiazole-4-carbohydrazide
CID 46422350
N-[4-(cyclopropylmethylsulfamoyl)phenyl]-2-thiophen-3-yl-1,3-thiazole-4-carboxamide
CID 78877116
thiophen-3-ylmethyl 2-(4-ethoxyphenyl)-1,3-thiazole-4-carboxylate
CID 155594299
2-(4-ethoxyphenyl)-1,3-thiazole-4-carboxylic acid
CID 20987012
2-(4-ethoxyphenyl)-N-(1-hydroxypropan-2-yl)-1,3-thiazole-4-carboxamide
CID 78861167
N-[[4-(dimethylsulfamoyl)phenyl]methyl]-2-thiophen-3-yl-1,3-thiazole-4-carboxamide
CID 60554830
2-(4-ethylphenyl)-N'-thiophen-2-ylsulfonyl-1,3-thiazole-4-carbohydrazide
CID 8842228
N-(2-sulfamoylethyl)-2-thiophen-3-yl-1,3-thiazole-4-carboxamide
CID 56787733
N-[5-(cyclopropylsulfamoyl)-2-methoxyphenyl]-2-thiophen-3-yl-1,3-thiazole-4-carboxamide
CID 46535382
2-[(2-thiophen-3-yl-1,3-thiazole-4-carbonyl)amino]acetic acid
CID 43354490

Frequently Asked Questions

What is the IUPAC name of N'-(4-ethoxyphenyl)sulfonyl-2-thiophen-3-yl-1,3-thiazole-4-carbohydrazide?
The IUPAC name of N'-(4-ethoxyphenyl)sulfonyl-2-thiophen-3-yl-1,3-thiazole-4-carbohydrazide (CID 9083645) is N'-(4-ethoxyphenyl)sulfonyl-2-thiophen-3-yl-1,3-thiazole-4-carbohydrazide.
What is the SMILES notation for N'-(4-ethoxyphenyl)sulfonyl-2-thiophen-3-yl-1,3-thiazole-4-carbohydrazide?
The canonical SMILES for N'-(4-ethoxyphenyl)sulfonyl-2-thiophen-3-yl-1,3-thiazole-4-carbohydrazide is CCOc1ccc(S(=O)(=O)NNC(=O)c2csc(-c3ccsc3)n2)cc1.
What is the InChIKey of N'-(4-ethoxyphenyl)sulfonyl-2-thiophen-3-yl-1,3-thiazole-4-carbohydrazide?
The InChIKey is AQIMQJPLWVXLDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O4S3/c1-2-23-12-3-5-13(6-4-12)26(21,22)19-18-15(20)14-10-25-16(17-14)11-7-8-24-9-11/h3-10,19H,2H2,1H3,(H,18,20).
What are the key properties of N'-(4-ethoxyphenyl)sulfonyl-2-thiophen-3-yl-1,3-thiazole-4-carbohydrazide?
N'-(4-ethoxyphenyl)sulfonyl-2-thiophen-3-yl-1,3-thiazole-4-carbohydrazide has a molecular weight of 409.51 g/mol, XLogP of 2.89, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-ethoxyphenyl)sulfonyl-2-thiophen-3-yl-1,3-thiazole-4-carbohydrazide is sourced from PubChem (CID 9083645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).