4-(1,3-thiazol-2-ylsulfanyl)pentanehydrazide

C8H13N3OS2 — CID 63581257

IUPAC4-(1,3-thiazol-2-ylsulfanyl)pentanehydrazide
SMILESCC(CCC(=O)NN)Sc1nccs1
InChIInChI=1S/C8H13N3OS2/c1-6(2-3-7(12)11-9)14-8-10-4-5-13-8/h4-6H,2-3,9H2,1H3,(H,11,12)
InChIKeyRBZXEQRTSJTDOY-UHFFFAOYSA-N
MW231.35 g/mol
LogP1.39
Rot. Bonds5

About 4-(1,3-thiazol-2-ylsulfanyl)pentanehydrazide

4-(1,3-thiazol-2-ylsulfanyl)pentanehydrazide (PubChem CID 63581257) has the molecular formula C8H13N3OS2 and a molecular weight of 231.35 g/mol. Its IUPAC name is 4-(1,3-thiazol-2-ylsulfanyl)pentanehydrazide.

Molecular Properties

Compound Name4-(1,3-thiazol-2-ylsulfanyl)pentanehydrazide
PubChem CID63581257
Molecular FormulaC8H13N3OS2
Molecular Weight231.35 g/mol
Exact Mass231.05
IUPAC Name4-(1,3-thiazol-2-ylsulfanyl)pentanehydrazide
SMILESCC(CCC(=O)NN)Sc1nccs1
InChIInChI=1S/C8H13N3OS2/c1-6(2-3-7(12)11-9)14-8-10-4-5-13-8/h4-6H,2-3,9H2,1H3,(H,11,12)
InChIKeyRBZXEQRTSJTDOY-UHFFFAOYSA-N
XLogP1.39
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.35
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiazol_SC_A(3)', 'substructure': 'N/A'}, {'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

3-(1,3-thiazol-2-ylsulfanyl)propanehydrazide
CID 63581997
4-(3-aminopyrazin-2-yl)sulfanylpentanehydrazide
CID 106679440
methyl 2-methyl-2-(propylamino)-4-(1,3-thiazol-2-ylsulfanyl)pentanoate
CID 64703303
2-methyl-N-[2-(1,3-thiazol-2-ylsulfanyl)propyl]propan-1-amine
CID 62580662
N'-hydroxy-3-(1,3-thiazol-2-ylsulfanyl)butanimidamide
CID 61218176
4-(4-hydroxyphenyl)sulfanylpentanehydrazide
CID 63581994
2-(1,3-thiazol-2-ylsulfanyl)butanamide
CID 62900689
2-(ethylamino)-2-methyl-4-(1,3-thiazol-2-ylsulfanyl)pentanoic acid
CID 64702709
3-(1,3-thiazol-2-ylsulfanyl)butanimidamide
CID 61219315
3-(1,3-thiazol-2-ylsulfanyl)butanenitrile
CID 61220077
4-(3,4-difluorophenyl)sulfanylpentanehydrazide
CID 63582881
4-[(4-amino-1,2,4-triazol-3-yl)sulfanyl]pentanehydrazide
CID 63581838

Frequently Asked Questions

What is the IUPAC name of 4-(1,3-thiazol-2-ylsulfanyl)pentanehydrazide?
The IUPAC name of 4-(1,3-thiazol-2-ylsulfanyl)pentanehydrazide (CID 63581257) is 4-(1,3-thiazol-2-ylsulfanyl)pentanehydrazide.
What is the SMILES notation for 4-(1,3-thiazol-2-ylsulfanyl)pentanehydrazide?
The canonical SMILES for 4-(1,3-thiazol-2-ylsulfanyl)pentanehydrazide is CC(CCC(=O)NN)Sc1nccs1.
What is the InChIKey of 4-(1,3-thiazol-2-ylsulfanyl)pentanehydrazide?
The InChIKey is RBZXEQRTSJTDOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3OS2/c1-6(2-3-7(12)11-9)14-8-10-4-5-13-8/h4-6H,2-3,9H2,1H3,(H,11,12).
What are the key properties of 4-(1,3-thiazol-2-ylsulfanyl)pentanehydrazide?
4-(1,3-thiazol-2-ylsulfanyl)pentanehydrazide has a molecular weight of 231.35 g/mol, XLogP of 1.39, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,3-thiazol-2-ylsulfanyl)pentanehydrazide is sourced from PubChem (CID 63581257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).