N'-(2-chloro-5-hydroxybenzenecarbothioyl)-N-[4-[2-(2-chloro-5-hydroxybenzenecarbothioyl)-2-methylhydrazinyl]penta-1,4-dien-2-yl]-N'-methylacetohydrazide

C23H24Cl2N4O3S2 — CID 143760587

IUPACN'-(2-chloro-5-hydroxybenzenecarbothioyl)-N-[4-[2-(2-chloro-5-hydroxybenzenecarbothioyl)-2-methylhydrazinyl]penta-1,4-dien-2-yl]-N'-methylacetohydrazide
SMILESC=C(CC(=C)N(C(C)=O)N(C)C(=S)c1cc(O)ccc1Cl)NN(C)C(=S)c1cc(O)ccc1Cl
InChIInChI=1S/C23H24Cl2N4O3S2/c1-13(26-27(4)22(33)18-11-16(31)6-8-20(18)24)10-14(2)29(15(3)30)28(5)23(34)19-12-17(32)7-9-21(19)25/h6-9,11-12,26,31-32H,1-2,10H2,3-5H3
InChIKeyIIENTNCHXKOVPI-UHFFFAOYSA-N
MW539.51 g/mol
LogP5.01
Rot. Bonds7

About N'-(2-chloro-5-hydroxybenzenecarbothioyl)-N-[4-[2-(2-chloro-5-hydroxybenzenecarbothioyl)-2-methylhydrazinyl]penta-1,4-dien-2-yl]-N'-methylacetohydrazide

N'-(2-chloro-5-hydroxybenzenecarbothioyl)-N-[4-[2-(2-chloro-5-hydroxybenzenecarbothioyl)-2-methylhydrazinyl]penta-1,4-dien-2-yl]-N'-methylacetohydrazide (PubChem CID 143760587) has the molecular formula C23H24Cl2N4O3S2 and a molecular weight of 539.51 g/mol. Its IUPAC name is N'-(2-chloro-5-hydroxybenzenecarbothioyl)-N-[4-[2-(2-chloro-5-hydroxybenzenecarbothioyl)-2-methylhydrazinyl]penta-1,4-dien-2-yl]-N'-methylacetohydrazide.

Molecular Properties

Compound NameN'-(2-chloro-5-hydroxybenzenecarbothioyl)-N-[4-[2-(2-chloro-5-hydroxybenzenecarbothioyl)-2-methylhydrazinyl]penta-1,4-dien-2-yl]-N'-methylacetohydrazide
PubChem CID143760587
Molecular FormulaC23H24Cl2N4O3S2
Molecular Weight539.51 g/mol
Exact Mass538.07
IUPAC NameN'-(2-chloro-5-hydroxybenzenecarbothioyl)-N-[4-[2-(2-chloro-5-hydroxybenzenecarbothioyl)-2-methylhydrazinyl]penta-1,4-dien-2-yl]-N'-methylacetohydrazide
SMILESC=C(CC(=C)N(C(C)=O)N(C)C(=S)c1cc(O)ccc1Cl)NN(C)C(=S)c1cc(O)ccc1Cl
InChIInChI=1S/C23H24Cl2N4O3S2/c1-13(26-27(4)22(33)18-11-16(31)6-8-20(18)24)10-14(2)29(15(3)30)28(5)23(34)19-12-17(32)7-9-21(19)25/h6-9,11-12,26,31-32H,1-2,10H2,3-5H3
InChIKeyIIENTNCHXKOVPI-UHFFFAOYSA-N
XLogP5.01
TPSA79.28 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500539.51
LogP ≤ 55.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-5-hydroxy-N-methyl-N-(2-methylprop-2-enyl)benzamide
CID 106502176
sodium bis(1-N',3-N'-bis(2,5-dichlorobenzenecarbothioyl)-1-N',3-N'-dimethylpropanedihydrazide)
CID 11578985
2-chloro-5-hydroxy-N',N'-dimethylbenzohydrazide
CID 106502069
2-chloro-5-hydroxybenzamide
CID 57422942
N-acetyl-N-(2-chloro-5-hydroxyphenyl)acetamide
CID 67933790
2-chloro-5-hydroxy-N-methyl-N-[2-(methylamino)ethyl]benzamide
CID 106500873
2-chloro-N-[[1-(dimethylamino)cyclopentyl]methyl]-5-hydroxybenzamide
CID 106502082
2-chloro-5-hydroxy-N-[2-(2-methylprop-2-enoxy)ethyl]benzamide
CID 106502213
2-chloro-N-[2-(ethylamino)-2-oxoethyl]-5-hydroxy-N-methylbenzamide
CID 106501594
N-(2-amino-2-sulfanylideneethyl)-2-chloro-5-hydroxybenzamide
CID 106501035
2-chloro-5-hydroxy-N-(1-methoxypropan-2-yl)-N-methylbenzamide
CID 106501519
2-chloro-N-(cyanomethyl)-5-hydroxy-N-methylbenzamide
CID 106500987

Frequently Asked Questions

What is the IUPAC name of N'-(2-chloro-5-hydroxybenzenecarbothioyl)-N-[4-[2-(2-chloro-5-hydroxybenzenecarbothioyl)-2-methylhydrazinyl]penta-1,4-dien-2-yl]-N'-methylacetohydrazide?
The IUPAC name of N'-(2-chloro-5-hydroxybenzenecarbothioyl)-N-[4-[2-(2-chloro-5-hydroxybenzenecarbothioyl)-2-methylhydrazinyl]penta-1,4-dien-2-yl]-N'-methylacetohydrazide (CID 143760587) is N'-(2-chloro-5-hydroxybenzenecarbothioyl)-N-[4-[2-(2-chloro-5-hydroxybenzenecarbothioyl)-2-methylhydrazinyl]penta-1,4-dien-2-yl]-N'-methylacetohydrazide.
What is the SMILES notation for N'-(2-chloro-5-hydroxybenzenecarbothioyl)-N-[4-[2-(2-chloro-5-hydroxybenzenecarbothioyl)-2-methylhydrazinyl]penta-1,4-dien-2-yl]-N'-methylacetohydrazide?
The canonical SMILES for N'-(2-chloro-5-hydroxybenzenecarbothioyl)-N-[4-[2-(2-chloro-5-hydroxybenzenecarbothioyl)-2-methylhydrazinyl]penta-1,4-dien-2-yl]-N'-methylacetohydrazide is C=C(CC(=C)N(C(C)=O)N(C)C(=S)c1cc(O)ccc1Cl)NN(C)C(=S)c1cc(O)ccc1Cl.
What is the InChIKey of N'-(2-chloro-5-hydroxybenzenecarbothioyl)-N-[4-[2-(2-chloro-5-hydroxybenzenecarbothioyl)-2-methylhydrazinyl]penta-1,4-dien-2-yl]-N'-methylacetohydrazide?
The InChIKey is IIENTNCHXKOVPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24Cl2N4O3S2/c1-13(26-27(4)22(33)18-11-16(31)6-8-20(18)24)10-14(2)29(15(3)30)28(5)23(34)19-12-17(32)7-9-21(19)25/h6-9,11-12,26,31-32H,1-2,10H2,3-5H3.
What are the key properties of N'-(2-chloro-5-hydroxybenzenecarbothioyl)-N-[4-[2-(2-chloro-5-hydroxybenzenecarbothioyl)-2-methylhydrazinyl]penta-1,4-dien-2-yl]-N'-methylacetohydrazide?
N'-(2-chloro-5-hydroxybenzenecarbothioyl)-N-[4-[2-(2-chloro-5-hydroxybenzenecarbothioyl)-2-methylhydrazinyl]penta-1,4-dien-2-yl]-N'-methylacetohydrazide has a molecular weight of 539.51 g/mol, XLogP of 5.01, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-chloro-5-hydroxybenzenecarbothioyl)-N-[4-[2-(2-chloro-5-hydroxybenzenecarbothioyl)-2-methylhydrazinyl]penta-1,4-dien-2-yl]-N'-methylacetohydrazide is sourced from PubChem (CID 143760587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).