2,5-dichloro-N'-(cyclopropanecarbonyl)thiophene-3-carbohydrazide

C9H8Cl2N2O2S — CID 26738757

IUPAC2,5-dichloro-N'-(cyclopropanecarbonyl)thiophene-3-carbohydrazide
SMILESO=C(NNC(=O)C1CC1)c1cc(Cl)sc1Cl
InChIInChI=1S/C9H8Cl2N2O2S/c10-6-3-5(7(11)16-6)9(15)13-12-8(14)4-1-2-4/h3-4H,1-2H2,(H,12,14)(H,13,15)
InChIKeyDGXMDCCPQGMVJK-UHFFFAOYSA-N
MW279.15 g/mol
LogP2.23
Rot. Bonds2

About 2,5-dichloro-N'-(cyclopropanecarbonyl)thiophene-3-carbohydrazide

2,5-dichloro-N'-(cyclopropanecarbonyl)thiophene-3-carbohydrazide (PubChem CID 26738757) has the molecular formula C9H8Cl2N2O2S and a molecular weight of 279.15 g/mol. Its IUPAC name is 2,5-dichloro-N'-(cyclopropanecarbonyl)thiophene-3-carbohydrazide.

Molecular Properties

Compound Name2,5-dichloro-N'-(cyclopropanecarbonyl)thiophene-3-carbohydrazide
PubChem CID26738757
Molecular FormulaC9H8Cl2N2O2S
Molecular Weight279.15 g/mol
Exact Mass277.97
IUPAC Name2,5-dichloro-N'-(cyclopropanecarbonyl)thiophene-3-carbohydrazide
SMILESO=C(NNC(=O)C1CC1)c1cc(Cl)sc1Cl
InChIInChI=1S/C9H8Cl2N2O2S/c10-6-3-5(7(11)16-6)9(15)13-12-8(14)4-1-2-4/h3-4H,1-2H2,(H,12,14)(H,13,15)
InChIKeyDGXMDCCPQGMVJK-UHFFFAOYSA-N
XLogP2.23
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.15
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-Chlorothiophene-3-carbohydrazide
CID 131067754
2,5-Dichlorothiophene-3-carbohydrazide;hydrochloride
CID 142496820
ethyl N-[(2,5-dichlorothiophene-3-carbonyl)amino]carbamate
CID 16387170
2,5-Dichlorothiophene-3-carbohydrazide
CID 71670587
[(2,5-Dichlorothiophene-3-carbonyl)amino]urea
CID 107966506
[(2,5-Dichlorothiophene-3-carbonyl)amino]thiourea
CID 107966869
[(5-Chlorothiophene-3-carbonyl)amino]urea
CID 130639850
N'-acetyl-5-chlorothiophene-3-carbohydrazide
CID 130992096
N'-(cyclopropanecarbonyl)thiophene-3-carbohydrazide
CID 133727981

Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-N'-(cyclopropanecarbonyl)thiophene-3-carbohydrazide?
The IUPAC name of 2,5-dichloro-N'-(cyclopropanecarbonyl)thiophene-3-carbohydrazide (CID 26738757) is 2,5-dichloro-N'-(cyclopropanecarbonyl)thiophene-3-carbohydrazide.
What is the SMILES notation for 2,5-dichloro-N'-(cyclopropanecarbonyl)thiophene-3-carbohydrazide?
The canonical SMILES for 2,5-dichloro-N'-(cyclopropanecarbonyl)thiophene-3-carbohydrazide is O=C(NNC(=O)C1CC1)c1cc(Cl)sc1Cl.
What is the InChIKey of 2,5-dichloro-N'-(cyclopropanecarbonyl)thiophene-3-carbohydrazide?
The InChIKey is DGXMDCCPQGMVJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8Cl2N2O2S/c10-6-3-5(7(11)16-6)9(15)13-12-8(14)4-1-2-4/h3-4H,1-2H2,(H,12,14)(H,13,15).
What are the key properties of 2,5-dichloro-N'-(cyclopropanecarbonyl)thiophene-3-carbohydrazide?
2,5-dichloro-N'-(cyclopropanecarbonyl)thiophene-3-carbohydrazide has a molecular weight of 279.15 g/mol, XLogP of 2.23, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-N'-(cyclopropanecarbonyl)thiophene-3-carbohydrazide is sourced from PubChem (CID 26738757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).