N'-acetyl-5-chlorothiophene-2-carbohydrazide

C7H7ClN2O2S — CID 30905460

IUPACN'-acetyl-5-chlorothiophene-2-carbohydrazide
SMILESCC(=O)NNC(=O)c1ccc(Cl)s1
InChIInChI=1S/C7H7ClN2O2S/c1-4(11)9-10-7(12)5-2-3-6(8)13-5/h2-3H,1H3,(H,9,11)(H,10,12)
InChIKeyMIRFUPKWWXTPRK-UHFFFAOYSA-N
MW218.66 g/mol
LogP1.18
Rot. Bonds1

About N'-acetyl-5-chlorothiophene-2-carbohydrazide

N'-acetyl-5-chlorothiophene-2-carbohydrazide (PubChem CID 30905460) has the molecular formula C7H7ClN2O2S and a molecular weight of 218.66 g/mol. Its IUPAC name is N'-acetyl-5-chlorothiophene-2-carbohydrazide.

Molecular Properties

Compound NameN'-acetyl-5-chlorothiophene-2-carbohydrazide
PubChem CID30905460
Molecular FormulaC7H7ClN2O2S
Molecular Weight218.66 g/mol
Exact Mass217.99
IUPAC NameN'-acetyl-5-chlorothiophene-2-carbohydrazide
SMILESCC(=O)NNC(=O)c1ccc(Cl)s1
InChIInChI=1S/C7H7ClN2O2S/c1-4(11)9-10-7(12)5-2-3-6(8)13-5/h2-3H,1H3,(H,9,11)(H,10,12)
InChIKeyMIRFUPKWWXTPRK-UHFFFAOYSA-N
XLogP1.18
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.66
LogP ≤ 51.18
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

Thiophene-2-carbohydrazide
CID 73098
5-Chlorothiophene-2-carboxamide
CID 5172545
5-chloro-N-(4-methylpiperazin-1-yl)thiophene-2-carboxamide
CID 1246503
5-Chlorothiophene-2-carboxylic acid hydrazide
CID 2757923
5-Methylthiophene-2-carbohydrazide
CID 2760085
N'-[2-(4-chlorophenyl)sulfanylacetyl]thiophene-2-carbohydrazide
CID 960035
Thiophene-2,5-dicarbohydrazide
CID 1384009
5-Chloro-thiophene-2-carbonyl azide
CID 12330501
N'-(4-chloro-4,4-difluorobutanoyl)thiophene-2-carbohydrazide
CID 141562808
5-(5-Chloro-thiophen-2-yl)-2H-pyrazol-3-ol
CID 588825
N-(2-thienylcarbonylamino)ethanamide
CID 960022
3-[(5-Chlorothiophene-2-carbonyl)amino]-1,1-diethylthiourea
CID 134971811

Frequently Asked Questions

What is the IUPAC name of N'-acetyl-5-chlorothiophene-2-carbohydrazide?
The IUPAC name of N'-acetyl-5-chlorothiophene-2-carbohydrazide (CID 30905460) is N'-acetyl-5-chlorothiophene-2-carbohydrazide.
What is the SMILES notation for N'-acetyl-5-chlorothiophene-2-carbohydrazide?
The canonical SMILES for N'-acetyl-5-chlorothiophene-2-carbohydrazide is CC(=O)NNC(=O)c1ccc(Cl)s1.
What is the InChIKey of N'-acetyl-5-chlorothiophene-2-carbohydrazide?
The InChIKey is MIRFUPKWWXTPRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7ClN2O2S/c1-4(11)9-10-7(12)5-2-3-6(8)13-5/h2-3H,1H3,(H,9,11)(H,10,12).
What are the key properties of N'-acetyl-5-chlorothiophene-2-carbohydrazide?
N'-acetyl-5-chlorothiophene-2-carbohydrazide has a molecular weight of 218.66 g/mol, XLogP of 1.18, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-acetyl-5-chlorothiophene-2-carbohydrazide is sourced from PubChem (CID 30905460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).