5-methylsulfanyl-4-(4-methyl-1,3-thiazol-2-yl)thiophene-2-carbohydrazide

C10H11N3OS3 — CID 2820235

IUPAC5-methylsulfanyl-4-(4-methyl-1,3-thiazol-2-yl)thiophene-2-carbohydrazide
SMILESCSc1sc(C(=O)NN)cc1-c1nc(C)cs1
InChIInChI=1S/C10H11N3OS3/c1-5-4-16-9(12-5)6-3-7(8(14)13-11)17-10(6)15-2/h3-4H,11H2,1-2H3,(H,13,14)
InChIKeyXYJBLKVRUJHFGA-UHFFFAOYSA-N
MW285.42 g/mol
LogP2.51
Rot. Bonds3

About 5-methylsulfanyl-4-(4-methyl-1,3-thiazol-2-yl)thiophene-2-carbohydrazide

5-methylsulfanyl-4-(4-methyl-1,3-thiazol-2-yl)thiophene-2-carbohydrazide (PubChem CID 2820235) has the molecular formula C10H11N3OS3 and a molecular weight of 285.42 g/mol. Its IUPAC name is 5-methylsulfanyl-4-(4-methyl-1,3-thiazol-2-yl)thiophene-2-carbohydrazide.

Molecular Properties

Compound Name5-methylsulfanyl-4-(4-methyl-1,3-thiazol-2-yl)thiophene-2-carbohydrazide
PubChem CID2820235
Molecular FormulaC10H11N3OS3
Molecular Weight285.42 g/mol
Exact Mass285.01
IUPAC Name5-methylsulfanyl-4-(4-methyl-1,3-thiazol-2-yl)thiophene-2-carbohydrazide
SMILESCSc1sc(C(=O)NN)cc1-c1nc(C)cs1
InChIInChI=1S/C10H11N3OS3/c1-5-4-16-9(12-5)6-3-7(8(14)13-11)17-10(6)15-2/h3-4H,11H2,1-2H3,(H,13,14)
InChIKeyXYJBLKVRUJHFGA-UHFFFAOYSA-N
XLogP2.51
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.42
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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'-(4-phenyl-1,3-thiazol-2-yl)-2-thiophenecarbohydrazide
CID 2817110
4-Methyl-2-(2-thienyl)-1,3-thiazole-5-carbohydrazide
CID 2744029
N'4-isobutyryl-2-(2-thienyl)-1,3-thiazole-4-carbohydrazide
CID 2743955
N'-[2-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]acetyl]thiophene-2-carbohydrazide
CID 2563953
2-(2-Thienyl)-1,3-thiazole-4-carbohydrazide
CID 2743952
2-(2-Thiophen-2-yl-1,3-thiazol-4-yl)acetohydrazide
CID 2744084
5-(2-methyl-1,3-thiazol-4-yl)-N-(2-sulfanylethyl)thiophene-3-carboxamide
CID 177679952
N'-(4-fluorobenzoyl)-2-thiophen-3-yl-1,3-thiazole-4-carbohydrazide
CID 8870785
4-ethyl-N'-[2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]acetyl]-5-methylthiophene-2-carbohydrazide
CID 9076252
(E)-N'-[2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]acetyl]-3-(5-methylthiophen-2-yl)prop-2-enehydrazide
CID 9076301
(E)-N'-[2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]acetyl]-3-(3-methylthiophen-2-yl)prop-2-enehydrazide
CID 9076306
(E)-N'-[2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]acetyl]-3-thiophen-2-ylprop-2-enehydrazide
CID 9076326

Frequently Asked Questions

What is the IUPAC name of 5-methylsulfanyl-4-(4-methyl-1,3-thiazol-2-yl)thiophene-2-carbohydrazide?
The IUPAC name of 5-methylsulfanyl-4-(4-methyl-1,3-thiazol-2-yl)thiophene-2-carbohydrazide (CID 2820235) is 5-methylsulfanyl-4-(4-methyl-1,3-thiazol-2-yl)thiophene-2-carbohydrazide.
What is the SMILES notation for 5-methylsulfanyl-4-(4-methyl-1,3-thiazol-2-yl)thiophene-2-carbohydrazide?
The canonical SMILES for 5-methylsulfanyl-4-(4-methyl-1,3-thiazol-2-yl)thiophene-2-carbohydrazide is CSc1sc(C(=O)NN)cc1-c1nc(C)cs1.
What is the InChIKey of 5-methylsulfanyl-4-(4-methyl-1,3-thiazol-2-yl)thiophene-2-carbohydrazide?
The InChIKey is XYJBLKVRUJHFGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3OS3/c1-5-4-16-9(12-5)6-3-7(8(14)13-11)17-10(6)15-2/h3-4H,11H2,1-2H3,(H,13,14).
What are the key properties of 5-methylsulfanyl-4-(4-methyl-1,3-thiazol-2-yl)thiophene-2-carbohydrazide?
5-methylsulfanyl-4-(4-methyl-1,3-thiazol-2-yl)thiophene-2-carbohydrazide has a molecular weight of 285.42 g/mol, XLogP of 2.51, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methylsulfanyl-4-(4-methyl-1,3-thiazol-2-yl)thiophene-2-carbohydrazide is sourced from PubChem (CID 2820235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).