4-methyl-2-thiophen-2-yl-1,3-thiazole-5-carbohydrazide

C9H9N3OS2 — CID 2744029

IUPAC4-methyl-2-thiophen-2-yl-1,3-thiazole-5-carbohydrazide
SMILESCc1nc(-c2cccs2)sc1C(=O)NN
InChIInChI=1S/C9H9N3OS2/c1-5-7(8(13)12-10)15-9(11-5)6-3-2-4-14-6/h2-4H,10H2,1H3,(H,12,13)
InChIKeyNIAHPOURQOOMID-UHFFFAOYSA-N
MW239.33 g/mol
LogP1.78
Rot. Bonds2

About 4-methyl-2-thiophen-2-yl-1,3-thiazole-5-carbohydrazide

4-methyl-2-thiophen-2-yl-1,3-thiazole-5-carbohydrazide (PubChem CID 2744029) has the molecular formula C9H9N3OS2 and a molecular weight of 239.33 g/mol. Its IUPAC name is 4-methyl-2-thiophen-2-yl-1,3-thiazole-5-carbohydrazide.

Molecular Properties

Compound Name4-methyl-2-thiophen-2-yl-1,3-thiazole-5-carbohydrazide
PubChem CID2744029
Molecular FormulaC9H9N3OS2
Molecular Weight239.33 g/mol
Exact Mass239.02
IUPAC Name4-methyl-2-thiophen-2-yl-1,3-thiazole-5-carbohydrazide
SMILESCc1nc(-c2cccs2)sc1C(=O)NN
InChIInChI=1S/C9H9N3OS2/c1-5-7(8(13)12-10)15-9(11-5)6-3-2-4-14-6/h2-4H,10H2,1H3,(H,12,13)
InChIKeyNIAHPOURQOOMID-UHFFFAOYSA-N
XLogP1.78
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.33
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-methyl-2-thiophen-2-yl-1,3-thiazole-5-carbohydrazide?
The IUPAC name of 4-methyl-2-thiophen-2-yl-1,3-thiazole-5-carbohydrazide (CID 2744029) is 4-methyl-2-thiophen-2-yl-1,3-thiazole-5-carbohydrazide.
What is the SMILES notation for 4-methyl-2-thiophen-2-yl-1,3-thiazole-5-carbohydrazide?
The canonical SMILES for 4-methyl-2-thiophen-2-yl-1,3-thiazole-5-carbohydrazide is Cc1nc(-c2cccs2)sc1C(=O)NN.
What is the InChIKey of 4-methyl-2-thiophen-2-yl-1,3-thiazole-5-carbohydrazide?
The InChIKey is NIAHPOURQOOMID-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N3OS2/c1-5-7(8(13)12-10)15-9(11-5)6-3-2-4-14-6/h2-4H,10H2,1H3,(H,12,13).
What are the key properties of 4-methyl-2-thiophen-2-yl-1,3-thiazole-5-carbohydrazide?
4-methyl-2-thiophen-2-yl-1,3-thiazole-5-carbohydrazide has a molecular weight of 239.33 g/mol, XLogP of 1.78, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-thiophen-2-yl-1,3-thiazole-5-carbohydrazide is sourced from PubChem (CID 2744029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).