2-amino-2-(5-chlorothiophen-2-yl)-N',N'-dimethylacetohydrazide

C8H12ClN3OS — CID 116849788

IUPAC2-amino-2-(5-chlorothiophen-2-yl)-N',N'-dimethylacetohydrazide
SMILESCN(C)NC(=O)C(N)c1ccc(Cl)s1
InChIInChI=1S/C8H12ClN3OS/c1-12(2)11-8(13)7(10)5-3-4-6(9)14-5/h3-4,7H,10H2,1-2H3,(H,11,13)
InChIKeyRNDGCPSGPQELOV-UHFFFAOYSA-N
MW233.72 g/mol
LogP0.99
Rot. Bonds3

About 2-amino-2-(5-chlorothiophen-2-yl)-N',N'-dimethylacetohydrazide

2-amino-2-(5-chlorothiophen-2-yl)-N',N'-dimethylacetohydrazide (PubChem CID 116849788) has the molecular formula C8H12ClN3OS and a molecular weight of 233.72 g/mol. Its IUPAC name is 2-amino-2-(5-chlorothiophen-2-yl)-N',N'-dimethylacetohydrazide.

Molecular Properties

Compound Name2-amino-2-(5-chlorothiophen-2-yl)-N',N'-dimethylacetohydrazide
PubChem CID116849788
Molecular FormulaC8H12ClN3OS
Molecular Weight233.72 g/mol
Exact Mass233.04
IUPAC Name2-amino-2-(5-chlorothiophen-2-yl)-N',N'-dimethylacetohydrazide
SMILESCN(C)NC(=O)C(N)c1ccc(Cl)s1
InChIInChI=1S/C8H12ClN3OS/c1-12(2)11-8(13)7(10)5-3-4-6(9)14-5/h3-4,7H,10H2,1-2H3,(H,11,13)
InChIKeyRNDGCPSGPQELOV-UHFFFAOYSA-N
XLogP0.99
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.72
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-amino-2-(5-chlorothiophen-2-yl)-N-methylacetamide
CID 116850381
2-amino-2-(5-bromothiophen-2-yl)-N',N'-dimethylacetohydrazide
CID 116849789
methyl (2S)-2-amino-2-(5-chlorothiophen-2-yl)acetate
CID 12968026
(1R)-1-(5-chlorothiophen-2-yl)-2-methylprop-2-en-1-amine
CID 166678249
2-(5-chlorothiophen-2-yl)-N-methylpropanehydrazide
CID 116845748
(2S)-2-amino-N-[1-(5-chlorothiophen-2-yl)propyl]propanamide
CID 119324709
(2R)-2-amino-N-[1-(5-chlorothiophen-2-yl)ethyl]-3,3-dimethylbutanamide
CID 103928730
methyl 3-amino-3-(5-chlorothiophen-2-yl)propanoate
CID 43146898
1-(5-chlorothiophen-2-yl)propan-1-amine;oxalic acid
CID 19830112
(2S)-2-amino-N-[(1S)-1-(5-chlorothiophen-2-yl)ethyl]pentanamide
CID 93267274
3-amino-3-(5-chlorothiophen-2-yl)propanehydrazide
CID 116848751
2-bromo-N-[1-(5-chlorothiophen-2-yl)ethyl]propanamide
CID 107903709

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-(5-chlorothiophen-2-yl)-N',N'-dimethylacetohydrazide?
The IUPAC name of 2-amino-2-(5-chlorothiophen-2-yl)-N',N'-dimethylacetohydrazide (CID 116849788) is 2-amino-2-(5-chlorothiophen-2-yl)-N',N'-dimethylacetohydrazide.
What is the SMILES notation for 2-amino-2-(5-chlorothiophen-2-yl)-N',N'-dimethylacetohydrazide?
The canonical SMILES for 2-amino-2-(5-chlorothiophen-2-yl)-N',N'-dimethylacetohydrazide is CN(C)NC(=O)C(N)c1ccc(Cl)s1.
What is the InChIKey of 2-amino-2-(5-chlorothiophen-2-yl)-N',N'-dimethylacetohydrazide?
The InChIKey is RNDGCPSGPQELOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12ClN3OS/c1-12(2)11-8(13)7(10)5-3-4-6(9)14-5/h3-4,7H,10H2,1-2H3,(H,11,13).
What are the key properties of 2-amino-2-(5-chlorothiophen-2-yl)-N',N'-dimethylacetohydrazide?
2-amino-2-(5-chlorothiophen-2-yl)-N',N'-dimethylacetohydrazide has a molecular weight of 233.72 g/mol, XLogP of 0.99, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-(5-chlorothiophen-2-yl)-N',N'-dimethylacetohydrazide is sourced from PubChem (CID 116849788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).