5-chloro-N'-(morpholine-4-carbothioyl)thiophene-2-carbohydrazide

C10H12ClN3O2S2 — CID 11587575

IUPAC5-chloro-N'-(morpholine-4-carbothioyl)thiophene-2-carbohydrazide
SMILESO=C(NNC(=S)N1CCOCC1)c1ccc(Cl)s1
InChIInChI=1S/C10H12ClN3O2S2/c11-8-2-1-7(18-8)9(15)12-13-10(17)14-3-5-16-6-4-14/h1-2H,3-6H2,(H,12,15)(H,13,17)
InChIKeyAFVIFLGWKDMMAC-UHFFFAOYSA-N
MW305.81 g/mol
LogP1.25
Rot. Bonds1

About 5-chloro-N'-(morpholine-4-carbothioyl)thiophene-2-carbohydrazide

5-chloro-N'-(morpholine-4-carbothioyl)thiophene-2-carbohydrazide (PubChem CID 11587575) has the molecular formula C10H12ClN3O2S2 and a molecular weight of 305.81 g/mol. Its IUPAC name is 5-chloro-N'-(morpholine-4-carbothioyl)thiophene-2-carbohydrazide.

Molecular Properties

Compound Name5-chloro-N'-(morpholine-4-carbothioyl)thiophene-2-carbohydrazide
PubChem CID11587575
Molecular FormulaC10H12ClN3O2S2
Molecular Weight305.81 g/mol
Exact Mass305.01
IUPAC Name5-chloro-N'-(morpholine-4-carbothioyl)thiophene-2-carbohydrazide
SMILESO=C(NNC(=S)N1CCOCC1)c1ccc(Cl)s1
InChIInChI=1S/C10H12ClN3O2S2/c11-8-2-1-7(18-8)9(15)12-13-10(17)14-3-5-16-6-4-14/h1-2H,3-6H2,(H,12,15)(H,13,17)
InChIKeyAFVIFLGWKDMMAC-UHFFFAOYSA-N
XLogP1.25
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.81
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

5-chloro-N-(4-methylpiperazin-1-yl)thiophene-2-carboxamide
CID 1246503
2-[(5-chlorothiophen-2-yl)carbonyl]-N-(tetrahydrofuran-2-ylmethyl)hydrazinecarbothioamide
CID 2956437
5-chloro-N-morpholinothiophene-2-carboxamide
CID 819246
N-[(4-morpholinylamino)carbonothioyl]-2-thiophenecarboxamide
CID 871479
5-chloro-N'-(pyrrolidine-1-carbothioyl)thiophene-2-carbohydrazide
CID 101768939
3-[(5-Chlorothiophene-2-carbonyl)amino]-1,1-diethylthiourea
CID 134971811
3-[(5-Chlorothiophene-2-carbonyl)amino]-1,1-bis(prop-2-enyl)urea
CID 11522277
N'-(5-chlorothiophene-2-carbonyl)morpholine-4-carbohydrazide
CID 11659292
2-[(5-Chloro-2-thienyl)carbonyl]-N-(2-methoxyethyl)hydrazinecarboxamide
CID 59536943
1-[(5-Chlorothiophene-2-carbonyl)amino]-1-(2-methoxyethyl)urea
CID 66610741
N-(3-chlorothiophene-2-carbonyl)morpholine-4-carbohydrazide
CID 69103994
N'-(3-chlorothiophene-2-carbonyl)morpholine-4-carbohydrazide
CID 174484167

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N'-(morpholine-4-carbothioyl)thiophene-2-carbohydrazide?
The IUPAC name of 5-chloro-N'-(morpholine-4-carbothioyl)thiophene-2-carbohydrazide (CID 11587575) is 5-chloro-N'-(morpholine-4-carbothioyl)thiophene-2-carbohydrazide.
What is the SMILES notation for 5-chloro-N'-(morpholine-4-carbothioyl)thiophene-2-carbohydrazide?
The canonical SMILES for 5-chloro-N'-(morpholine-4-carbothioyl)thiophene-2-carbohydrazide is O=C(NNC(=S)N1CCOCC1)c1ccc(Cl)s1.
What is the InChIKey of 5-chloro-N'-(morpholine-4-carbothioyl)thiophene-2-carbohydrazide?
The InChIKey is AFVIFLGWKDMMAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClN3O2S2/c11-8-2-1-7(18-8)9(15)12-13-10(17)14-3-5-16-6-4-14/h1-2H,3-6H2,(H,12,15)(H,13,17).
What are the key properties of 5-chloro-N'-(morpholine-4-carbothioyl)thiophene-2-carbohydrazide?
5-chloro-N'-(morpholine-4-carbothioyl)thiophene-2-carbohydrazide has a molecular weight of 305.81 g/mol, XLogP of 1.25, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N'-(morpholine-4-carbothioyl)thiophene-2-carbohydrazide is sourced from PubChem (CID 11587575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).