4-(propan-2-ylsulfanylmethyl)-1,3-thiazole-2-carbohydrazide

C8H13N3OS2 — CID 63581598

IUPAC4-(propan-2-ylsulfanylmethyl)-1,3-thiazole-2-carbohydrazide
SMILESCC(C)SCc1csc(C(=O)NN)n1
InChIInChI=1S/C8H13N3OS2/c1-5(2)13-3-6-4-14-8(10-6)7(12)11-9/h4-5H,3,9H2,1-2H3,(H,11,12)
InChIKeyGWXFGYDEWKINNP-UHFFFAOYSA-N
MW231.35 g/mol
LogP1.39
Rot. Bonds4

About 4-(propan-2-ylsulfanylmethyl)-1,3-thiazole-2-carbohydrazide

4-(propan-2-ylsulfanylmethyl)-1,3-thiazole-2-carbohydrazide (PubChem CID 63581598) has the molecular formula C8H13N3OS2 and a molecular weight of 231.35 g/mol. Its IUPAC name is 4-(propan-2-ylsulfanylmethyl)-1,3-thiazole-2-carbohydrazide.

Molecular Properties

Compound Name4-(propan-2-ylsulfanylmethyl)-1,3-thiazole-2-carbohydrazide
PubChem CID63581598
Molecular FormulaC8H13N3OS2
Molecular Weight231.35 g/mol
Exact Mass231.05
IUPAC Name4-(propan-2-ylsulfanylmethyl)-1,3-thiazole-2-carbohydrazide
SMILESCC(C)SCc1csc(C(=O)NN)n1
InChIInChI=1S/C8H13N3OS2/c1-5(2)13-3-6-4-14-8(10-6)7(12)11-9/h4-5H,3,9H2,1-2H3,(H,11,12)
InChIKeyGWXFGYDEWKINNP-UHFFFAOYSA-N
XLogP1.39
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
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': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(propan-2-ylsulfanylmethyl)-1,3-thiazole-2-carbohydrazide?
The IUPAC name of 4-(propan-2-ylsulfanylmethyl)-1,3-thiazole-2-carbohydrazide (CID 63581598) is 4-(propan-2-ylsulfanylmethyl)-1,3-thiazole-2-carbohydrazide.
What is the SMILES notation for 4-(propan-2-ylsulfanylmethyl)-1,3-thiazole-2-carbohydrazide?
The canonical SMILES for 4-(propan-2-ylsulfanylmethyl)-1,3-thiazole-2-carbohydrazide is CC(C)SCc1csc(C(=O)NN)n1.
What is the InChIKey of 4-(propan-2-ylsulfanylmethyl)-1,3-thiazole-2-carbohydrazide?
The InChIKey is GWXFGYDEWKINNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3OS2/c1-5(2)13-3-6-4-14-8(10-6)7(12)11-9/h4-5H,3,9H2,1-2H3,(H,11,12).
What are the key properties of 4-(propan-2-ylsulfanylmethyl)-1,3-thiazole-2-carbohydrazide?
4-(propan-2-ylsulfanylmethyl)-1,3-thiazole-2-carbohydrazide has a molecular weight of 231.35 g/mol, XLogP of 1.39, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(propan-2-ylsulfanylmethyl)-1,3-thiazole-2-carbohydrazide is sourced from PubChem (CID 63581598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).