3-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]propanehydrazide

C7H11N3OS2 — CID 63582849

IUPAC3-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]propanehydrazide
SMILESCc1csc(SCCC(=O)NN)n1
InChIInChI=1S/C7H11N3OS2/c1-5-4-13-7(9-5)12-3-2-6(11)10-8/h4H,2-3,8H2,1H3,(H,10,11)
InChIKeyXNOPTVZFOGRROY-UHFFFAOYSA-N
MW217.32 g/mol
LogP0.92
Rot. Bonds4

About 3-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]propanehydrazide

3-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]propanehydrazide (PubChem CID 63582849) has the molecular formula C7H11N3OS2 and a molecular weight of 217.32 g/mol. Its IUPAC name is 3-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]propanehydrazide.

Molecular Properties

Compound Name3-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]propanehydrazide
PubChem CID63582849
Molecular FormulaC7H11N3OS2
Molecular Weight217.32 g/mol
Exact Mass217.03
IUPAC Name3-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]propanehydrazide
SMILESCc1csc(SCCC(=O)NN)n1
InChIInChI=1S/C7H11N3OS2/c1-5-4-13-7(9-5)12-3-2-6(11)10-8/h4H,2-3,8H2,1H3,(H,10,11)
InChIKeyXNOPTVZFOGRROY-UHFFFAOYSA-N
XLogP0.92
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.32
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

N-(2-chlorophenyl)-3-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]propanamide
CID 3926266
3-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-1-phenylpropan-1-one
CID 116692221
3-(1,3-thiazol-2-ylsulfanyl)propanehydrazide
CID 63581997
2-amino-4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]butanoic acid
CID 63035563
1-(azepan-1-yl)-3-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]propan-1-one
CID 4005954
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]propanamide
CID 17467604
5-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]thiophene-2-carbohydrazide
CID 55212321
1-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]propan-2-one
CID 43414039
3-[(4,6-dimethyl-2-pyridinyl)sulfanyl]propanehydrazide
CID 102926020
O-[2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]ethyl]hydroxylamine
CID 131223188
3-(4-methylpyrimidin-2-yl)sulfanylpropanehydrazide
CID 63582535
sodium 2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetate
CID 84818244

Frequently Asked Questions

What is the IUPAC name of 3-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]propanehydrazide?
The IUPAC name of 3-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]propanehydrazide (CID 63582849) is 3-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]propanehydrazide.
What is the SMILES notation for 3-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]propanehydrazide?
The canonical SMILES for 3-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]propanehydrazide is Cc1csc(SCCC(=O)NN)n1.
What is the InChIKey of 3-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]propanehydrazide?
The InChIKey is XNOPTVZFOGRROY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3OS2/c1-5-4-13-7(9-5)12-3-2-6(11)10-8/h4H,2-3,8H2,1H3,(H,10,11).
What are the key properties of 3-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]propanehydrazide?
3-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]propanehydrazide has a molecular weight of 217.32 g/mol, XLogP of 0.92, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]propanehydrazide is sourced from PubChem (CID 63582849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).