N'-(2,5-dimethylphenyl)sulfonyl-3,4-dimethyl-2-sulfanylidene-1,3-thiazole-5-carbohydrazide

C14H17N3O3S3 — CID 27376012

IUPACN'-(2,5-dimethylphenyl)sulfonyl-3,4-dimethyl-2-sulfanylidene-1,3-thiazole-5-carbohydrazide
SMILESCc1ccc(C)c(S(=O)(=O)NNC(=O)c2sc(=S)n(C)c2C)c1
InChIInChI=1S/C14H17N3O3S3/c1-8-5-6-9(2)11(7-8)23(19,20)16-15-13(18)12-10(3)17(4)14(21)22-12/h5-7,16H,1-4H3,(H,15,18)
InChIKeyVZEYTOXJJOTBQF-UHFFFAOYSA-N
MW371.51 g/mol
LogP2.36
Rot. Bonds4

About N'-(2,5-dimethylphenyl)sulfonyl-3,4-dimethyl-2-sulfanylidene-1,3-thiazole-5-carbohydrazide

N'-(2,5-dimethylphenyl)sulfonyl-3,4-dimethyl-2-sulfanylidene-1,3-thiazole-5-carbohydrazide (PubChem CID 27376012) has the molecular formula C14H17N3O3S3 and a molecular weight of 371.51 g/mol. Its IUPAC name is N'-(2,5-dimethylphenyl)sulfonyl-3,4-dimethyl-2-sulfanylidene-1,3-thiazole-5-carbohydrazide.

Molecular Properties

Compound NameN'-(2,5-dimethylphenyl)sulfonyl-3,4-dimethyl-2-sulfanylidene-1,3-thiazole-5-carbohydrazide
PubChem CID27376012
Molecular FormulaC14H17N3O3S3
Molecular Weight371.51 g/mol
Exact Mass371.04
IUPAC NameN'-(2,5-dimethylphenyl)sulfonyl-3,4-dimethyl-2-sulfanylidene-1,3-thiazole-5-carbohydrazide
SMILESCc1ccc(C)c(S(=O)(=O)NNC(=O)c2sc(=S)n(C)c2C)c1
InChIInChI=1S/C14H17N3O3S3/c1-8-5-6-9(2)11(7-8)23(19,20)16-15-13(18)12-10(3)17(4)14(21)22-12/h5-7,16H,1-4H3,(H,15,18)
InChIKeyVZEYTOXJJOTBQF-UHFFFAOYSA-N
XLogP2.36
TPSA80.20 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.51
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N'-(2,5-dimethylphenyl)sulfonyl-3,4-dimethyl-2-sulfanylidene-1,3-thiazole-5-carbohydrazide?
The IUPAC name of N'-(2,5-dimethylphenyl)sulfonyl-3,4-dimethyl-2-sulfanylidene-1,3-thiazole-5-carbohydrazide (CID 27376012) is N'-(2,5-dimethylphenyl)sulfonyl-3,4-dimethyl-2-sulfanylidene-1,3-thiazole-5-carbohydrazide.
What is the SMILES notation for N'-(2,5-dimethylphenyl)sulfonyl-3,4-dimethyl-2-sulfanylidene-1,3-thiazole-5-carbohydrazide?
The canonical SMILES for N'-(2,5-dimethylphenyl)sulfonyl-3,4-dimethyl-2-sulfanylidene-1,3-thiazole-5-carbohydrazide is Cc1ccc(C)c(S(=O)(=O)NNC(=O)c2sc(=S)n(C)c2C)c1.
What is the InChIKey of N'-(2,5-dimethylphenyl)sulfonyl-3,4-dimethyl-2-sulfanylidene-1,3-thiazole-5-carbohydrazide?
The InChIKey is VZEYTOXJJOTBQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O3S3/c1-8-5-6-9(2)11(7-8)23(19,20)16-15-13(18)12-10(3)17(4)14(21)22-12/h5-7,16H,1-4H3,(H,15,18).
What are the key properties of N'-(2,5-dimethylphenyl)sulfonyl-3,4-dimethyl-2-sulfanylidene-1,3-thiazole-5-carbohydrazide?
N'-(2,5-dimethylphenyl)sulfonyl-3,4-dimethyl-2-sulfanylidene-1,3-thiazole-5-carbohydrazide has a molecular weight of 371.51 g/mol, XLogP of 2.36, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2,5-dimethylphenyl)sulfonyl-3,4-dimethyl-2-sulfanylidene-1,3-thiazole-5-carbohydrazide is sourced from PubChem (CID 27376012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).