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

C9H15N3OS2 — CID 63580634

IUPAC4-(butan-2-ylsulfanylmethyl)-1,3-thiazole-2-carbohydrazide
SMILESCCC(C)SCc1csc(C(=O)NN)n1
InChIInChI=1S/C9H15N3OS2/c1-3-6(2)14-4-7-5-15-9(11-7)8(13)12-10/h5-6H,3-4,10H2,1-2H3,(H,12,13)
InChIKeyDMPLAVUIESNQCO-UHFFFAOYSA-N
MW245.37 g/mol
LogP1.78
Rot. Bonds5

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

4-(butan-2-ylsulfanylmethyl)-1,3-thiazole-2-carbohydrazide (PubChem CID 63580634) has the molecular formula C9H15N3OS2 and a molecular weight of 245.37 g/mol. Its IUPAC name is 4-(butan-2-ylsulfanylmethyl)-1,3-thiazole-2-carbohydrazide.

Molecular Properties

Compound Name4-(butan-2-ylsulfanylmethyl)-1,3-thiazole-2-carbohydrazide
PubChem CID63580634
Molecular FormulaC9H15N3OS2
Molecular Weight245.37 g/mol
Exact Mass245.07
IUPAC Name4-(butan-2-ylsulfanylmethyl)-1,3-thiazole-2-carbohydrazide
SMILESCCC(C)SCc1csc(C(=O)NN)n1
InChIInChI=1S/C9H15N3OS2/c1-3-6(2)14-4-7-5-15-9(11-7)8(13)12-10/h5-6H,3-4,10H2,1-2H3,(H,12,13)
InChIKeyDMPLAVUIESNQCO-UHFFFAOYSA-N
XLogP1.78
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 51.78
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-(butan-2-ylsulfanylmethyl)-1,3-thiazole-2-carbohydrazide?
The IUPAC name of 4-(butan-2-ylsulfanylmethyl)-1,3-thiazole-2-carbohydrazide (CID 63580634) is 4-(butan-2-ylsulfanylmethyl)-1,3-thiazole-2-carbohydrazide.
What is the SMILES notation for 4-(butan-2-ylsulfanylmethyl)-1,3-thiazole-2-carbohydrazide?
The canonical SMILES for 4-(butan-2-ylsulfanylmethyl)-1,3-thiazole-2-carbohydrazide is CCC(C)SCc1csc(C(=O)NN)n1.
What is the InChIKey of 4-(butan-2-ylsulfanylmethyl)-1,3-thiazole-2-carbohydrazide?
The InChIKey is DMPLAVUIESNQCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3OS2/c1-3-6(2)14-4-7-5-15-9(11-7)8(13)12-10/h5-6H,3-4,10H2,1-2H3,(H,12,13).
What are the key properties of 4-(butan-2-ylsulfanylmethyl)-1,3-thiazole-2-carbohydrazide?
4-(butan-2-ylsulfanylmethyl)-1,3-thiazole-2-carbohydrazide has a molecular weight of 245.37 g/mol, XLogP of 1.78, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(butan-2-ylsulfanylmethyl)-1,3-thiazole-2-carbohydrazide is sourced from PubChem (CID 63580634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).