N'-[2-(4-chlorophenyl)sulfanylacetyl]-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetohydrazide

C17H14ClN3O2S3 — CID 34056496

IUPACN'-[2-(4-chlorophenyl)sulfanylacetyl]-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetohydrazide
SMILESO=C(CSc1ccc(Cl)cc1)NNC(=O)Cc1csc(-c2ccsc2)n1
InChIInChI=1S/C17H14ClN3O2S3/c18-12-1-3-14(4-2-12)25-10-16(23)21-20-15(22)7-13-9-26-17(19-13)11-5-6-24-8-11/h1-6,8-9H,7,10H2,(H,20,22)(H,21,23)
InChIKeyYUBGODWMFLXCHN-UHFFFAOYSA-N
MW423.97 g/mol
LogP4.01
Rot. Bonds6

About N'-[2-(4-chlorophenyl)sulfanylacetyl]-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetohydrazide

N'-[2-(4-chlorophenyl)sulfanylacetyl]-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetohydrazide (PubChem CID 34056496) has the molecular formula C17H14ClN3O2S3 and a molecular weight of 423.97 g/mol. Its IUPAC name is N'-[2-(4-chlorophenyl)sulfanylacetyl]-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetohydrazide.

Molecular Properties

Compound NameN'-[2-(4-chlorophenyl)sulfanylacetyl]-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetohydrazide
PubChem CID34056496
Molecular FormulaC17H14ClN3O2S3
Molecular Weight423.97 g/mol
Exact Mass422.99
IUPAC NameN'-[2-(4-chlorophenyl)sulfanylacetyl]-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetohydrazide
SMILESO=C(CSc1ccc(Cl)cc1)NNC(=O)Cc1csc(-c2ccsc2)n1
InChIInChI=1S/C17H14ClN3O2S3/c18-12-1-3-14(4-2-12)25-10-16(23)21-20-15(22)7-13-9-26-17(19-13)11-5-6-24-8-11/h1-6,8-9H,7,10H2,(H,20,22)(H,21,23)
InChIKeyYUBGODWMFLXCHN-UHFFFAOYSA-N
XLogP4.01
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.97
LogP ≤ 54.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-(4-chloro-2-methylphenyl)-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetamide
CID 9138977
4-(2,4-dichlorophenoxy)-N'-[2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetyl]butanehydrazide
CID 55406349
N'-[2-(4-chlorophenyl)acetyl]-2-thiophen-3-yl-1,3-thiazole-4-carbohydrazide
CID 46450564
N-cyclopropyl-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetamide
CID 17392861
N-[(S)-(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetamide
CID 25389914
N-[5-chloro-2-(4-methylpiperazin-1-yl)phenyl]-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetamide
CID 18203923
N-methoxy-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetamide
CID 51279391
N-[1-(4-chlorophenyl)ethyl]-N-methyl-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetamide
CID 42951802
N'-[2-(4-methoxyanilino)acetyl]-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetohydrazide
CID 18283839
N-prop-2-enyl-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetamide
CID 9399778
N'-[2-[2-(4-bromothiophen-2-yl)-1,3-thiazol-4-yl]acetyl]-2-(4-chlorophenyl)acetohydrazide
CID 55857445
N-[3-chloro-4-(dimethylamino)phenyl]-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetamide
CID 55825141

Frequently Asked Questions

What is the IUPAC name of N'-[2-(4-chlorophenyl)sulfanylacetyl]-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetohydrazide?
The IUPAC name of N'-[2-(4-chlorophenyl)sulfanylacetyl]-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetohydrazide (CID 34056496) is N'-[2-(4-chlorophenyl)sulfanylacetyl]-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetohydrazide.
What is the SMILES notation for N'-[2-(4-chlorophenyl)sulfanylacetyl]-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetohydrazide?
The canonical SMILES for N'-[2-(4-chlorophenyl)sulfanylacetyl]-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetohydrazide is O=C(CSc1ccc(Cl)cc1)NNC(=O)Cc1csc(-c2ccsc2)n1.
What is the InChIKey of N'-[2-(4-chlorophenyl)sulfanylacetyl]-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetohydrazide?
The InChIKey is YUBGODWMFLXCHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClN3O2S3/c18-12-1-3-14(4-2-12)25-10-16(23)21-20-15(22)7-13-9-26-17(19-13)11-5-6-24-8-11/h1-6,8-9H,7,10H2,(H,20,22)(H,21,23).
What are the key properties of N'-[2-(4-chlorophenyl)sulfanylacetyl]-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetohydrazide?
N'-[2-(4-chlorophenyl)sulfanylacetyl]-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetohydrazide has a molecular weight of 423.97 g/mol, XLogP of 4.01, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(4-chlorophenyl)sulfanylacetyl]-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetohydrazide is sourced from PubChem (CID 34056496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).