3-amino-3-(5-chlorothiophen-2-yl)propanehydrazide

C7H10ClN3OS — CID 116848751

IUPAC3-amino-3-(5-chlorothiophen-2-yl)propanehydrazide
SMILESNNC(=O)CC(N)c1ccc(Cl)s1
InChIInChI=1S/C7H10ClN3OS/c8-6-2-1-5(13-6)4(9)3-7(12)11-10/h1-2,4H,3,9-10H2,(H,11,12)
InChIKeyOLVLMKCVDFQIBM-UHFFFAOYSA-N
MW219.70 g/mol
LogP0.78
Rot. Bonds3

About 3-amino-3-(5-chlorothiophen-2-yl)propanehydrazide

3-amino-3-(5-chlorothiophen-2-yl)propanehydrazide (PubChem CID 116848751) has the molecular formula C7H10ClN3OS and a molecular weight of 219.70 g/mol. Its IUPAC name is 3-amino-3-(5-chlorothiophen-2-yl)propanehydrazide.

Molecular Properties

Compound Name3-amino-3-(5-chlorothiophen-2-yl)propanehydrazide
PubChem CID116848751
Molecular FormulaC7H10ClN3OS
Molecular Weight219.70 g/mol
Exact Mass219.02
IUPAC Name3-amino-3-(5-chlorothiophen-2-yl)propanehydrazide
SMILESNNC(=O)CC(N)c1ccc(Cl)s1
InChIInChI=1S/C7H10ClN3OS/c8-6-2-1-5(13-6)4(9)3-7(12)11-10/h1-2,4H,3,9-10H2,(H,11,12)
InChIKeyOLVLMKCVDFQIBM-UHFFFAOYSA-N
XLogP0.78
TPSA81.14 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.70
LogP ≤ 50.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

methyl 3-amino-3-(5-chlorothiophen-2-yl)propanoate
CID 43146898
3-amino-3-(5-chlorothiophen-2-yl)-1-pyrrolidin-1-ylpropan-1-one
CID 116851396
1-(5-chlorothiophen-2-yl)propan-1-amine;oxalic acid
CID 19830112
(1S)-1-(5-chlorothiophen-2-yl)propane-1,3-diamine;hydrochloride
CID 171220102
methyl (2S)-2-amino-2-(5-chlorothiophen-2-yl)acetate
CID 12968026
(1R)-1-(5-chlorothiophen-2-yl)propan-1-amine;hydrochloride
CID 171200569
ethyl 6-amino-6-(5-chlorothiophen-2-yl)hexanoate
CID 60862670
1-(5-chlorothiophen-2-yl)-3,3,3-trifluoropropan-1-amine
CID 43114604
2-amino-2-(5-chlorothiophen-2-yl)-N-methylacetamide
CID 116850381
(5-chlorothiophen-2-yl)-methoxymethanamine
CID 116947254
(1R)-1-(5-chlorothiophen-2-yl)-3,3,3-trifluoropropan-1-amine;hydrochloride
CID 171200577
(1R)-1-(5-chlorothiophen-2-yl)-3-methylbutan-1-amine;hydrochloride
CID 171200575

Frequently Asked Questions

What is the IUPAC name of 3-amino-3-(5-chlorothiophen-2-yl)propanehydrazide?
The IUPAC name of 3-amino-3-(5-chlorothiophen-2-yl)propanehydrazide (CID 116848751) is 3-amino-3-(5-chlorothiophen-2-yl)propanehydrazide.
What is the SMILES notation for 3-amino-3-(5-chlorothiophen-2-yl)propanehydrazide?
The canonical SMILES for 3-amino-3-(5-chlorothiophen-2-yl)propanehydrazide is NNC(=O)CC(N)c1ccc(Cl)s1.
What is the InChIKey of 3-amino-3-(5-chlorothiophen-2-yl)propanehydrazide?
The InChIKey is OLVLMKCVDFQIBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10ClN3OS/c8-6-2-1-5(13-6)4(9)3-7(12)11-10/h1-2,4H,3,9-10H2,(H,11,12).
What are the key properties of 3-amino-3-(5-chlorothiophen-2-yl)propanehydrazide?
3-amino-3-(5-chlorothiophen-2-yl)propanehydrazide has a molecular weight of 219.70 g/mol, XLogP of 0.78, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-3-(5-chlorothiophen-2-yl)propanehydrazide is sourced from PubChem (CID 116848751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).