4-(2,4-dichlorophenoxy)-N'-[2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetyl]butanehydrazide

C19H17Cl2N3O3S2 — CID 55406349

IUPAC4-(2,4-dichlorophenoxy)-N'-[2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetyl]butanehydrazide
SMILESO=C(CCCOc1ccc(Cl)cc1Cl)NNC(=O)Cc1csc(-c2ccsc2)n1
InChIInChI=1S/C19H17Cl2N3O3S2/c20-13-3-4-16(15(21)8-13)27-6-1-2-17(25)23-24-18(26)9-14-11-29-19(22-14)12-5-7-28-10-12/h3-5,7-8,10-11H,1-2,6,9H2,(H,23,25)(H,24,26)
InChIKeyCXBASQFWCAQEIO-UHFFFAOYSA-N
MW470.40 g/mol
LogP4.73
Rot. Bonds8

About 4-(2,4-dichlorophenoxy)-N'-[2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetyl]butanehydrazide

4-(2,4-dichlorophenoxy)-N'-[2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetyl]butanehydrazide (PubChem CID 55406349) has the molecular formula C19H17Cl2N3O3S2 and a molecular weight of 470.40 g/mol. Its IUPAC name is 4-(2,4-dichlorophenoxy)-N'-[2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetyl]butanehydrazide.

Molecular Properties

Compound Name4-(2,4-dichlorophenoxy)-N'-[2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetyl]butanehydrazide
PubChem CID55406349
Molecular FormulaC19H17Cl2N3O3S2
Molecular Weight470.40 g/mol
Exact Mass469.01
IUPAC Name4-(2,4-dichlorophenoxy)-N'-[2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetyl]butanehydrazide
SMILESO=C(CCCOc1ccc(Cl)cc1Cl)NNC(=O)Cc1csc(-c2ccsc2)n1
InChIInChI=1S/C19H17Cl2N3O3S2/c20-13-3-4-16(15(21)8-13)27-6-1-2-17(25)23-24-18(26)9-14-11-29-19(22-14)12-5-7-28-10-12/h3-5,7-8,10-11H,1-2,6,9H2,(H,23,25)(H,24,26)
InChIKeyCXBASQFWCAQEIO-UHFFFAOYSA-N
XLogP4.73
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.40
LogP ≤ 54.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

1-N',5-N'-bis[4-(2,4-dichlorophenoxy)butanoyl]pentanedihydrazide
CID 3689924
N'-[2-(4-chlorophenyl)sulfanylacetyl]-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetohydrazide
CID 34056496
N-(4-chloro-2-methylphenyl)-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetamide
CID 9138977
3,4,5-trimethoxy-N'-[2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetyl]benzohydrazide
CID 46651422
N-[(5-chloro-2-methoxyphenyl)methyl]-N-methyl-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetamide
CID 32761494
N-cyclopropyl-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetamide
CID 17392861
N-methoxy-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetamide
CID 51279391
3-methoxy-4-propan-2-yloxy-N'-[2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetyl]benzohydrazide
CID 46656596
N'-[2-(2-bromo-4-chlorophenoxy)acetyl]-4-(2,4-dichlorophenoxy)butanehydrazide
CID 5229244
1-N',5-N'-bis[2-(2,4-dichlorophenoxy)acetyl]pentanedihydrazide
CID 3363801
N-prop-2-enyl-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetamide
CID 9399778
N-[5-chloro-2-(4-methylpiperazin-1-yl)phenyl]-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetamide
CID 18203923

Frequently Asked Questions

What is the IUPAC name of 4-(2,4-dichlorophenoxy)-N'-[2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetyl]butanehydrazide?
The IUPAC name of 4-(2,4-dichlorophenoxy)-N'-[2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetyl]butanehydrazide (CID 55406349) is 4-(2,4-dichlorophenoxy)-N'-[2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetyl]butanehydrazide.
What is the SMILES notation for 4-(2,4-dichlorophenoxy)-N'-[2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetyl]butanehydrazide?
The canonical SMILES for 4-(2,4-dichlorophenoxy)-N'-[2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetyl]butanehydrazide is O=C(CCCOc1ccc(Cl)cc1Cl)NNC(=O)Cc1csc(-c2ccsc2)n1.
What is the InChIKey of 4-(2,4-dichlorophenoxy)-N'-[2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetyl]butanehydrazide?
The InChIKey is CXBASQFWCAQEIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17Cl2N3O3S2/c20-13-3-4-16(15(21)8-13)27-6-1-2-17(25)23-24-18(26)9-14-11-29-19(22-14)12-5-7-28-10-12/h3-5,7-8,10-11H,1-2,6,9H2,(H,23,25)(H,24,26).
What are the key properties of 4-(2,4-dichlorophenoxy)-N'-[2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetyl]butanehydrazide?
4-(2,4-dichlorophenoxy)-N'-[2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetyl]butanehydrazide has a molecular weight of 470.40 g/mol, XLogP of 4.73, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,4-dichlorophenoxy)-N'-[2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetyl]butanehydrazide is sourced from PubChem (CID 55406349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).