2-methyl-1,3-thiazole-5-carbohydrazide

C5H7N3OS — CID 45084466

IUPAC2-methyl-1,3-thiazole-5-carbohydrazide
SMILESCc1ncc(C(=O)NN)s1
InChIInChI=1S/C5H7N3OS/c1-3-7-2-4(10-3)5(9)8-6/h2H,6H2,1H3,(H,8,9)
InChIKeyASGDXBJEPCKVFO-UHFFFAOYSA-N
MW157.20 g/mol
LogP0.06
Rot. Bonds1

About 2-methyl-1,3-thiazole-5-carbohydrazide

2-methyl-1,3-thiazole-5-carbohydrazide (PubChem CID 45084466) has the molecular formula C5H7N3OS and a molecular weight of 157.20 g/mol. Its IUPAC name is 2-methyl-1,3-thiazole-5-carbohydrazide.

Molecular Properties

Compound Name2-methyl-1,3-thiazole-5-carbohydrazide
PubChem CID45084466
Molecular FormulaC5H7N3OS
Molecular Weight157.20 g/mol
Exact Mass157.03
IUPAC Name2-methyl-1,3-thiazole-5-carbohydrazide
SMILESCc1ncc(C(=O)NN)s1
InChIInChI=1S/C5H7N3OS/c1-3-7-2-4(10-3)5(9)8-6/h2H,6H2,1H3,(H,8,9)
InChIKeyASGDXBJEPCKVFO-UHFFFAOYSA-N
XLogP0.06
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.20
LogP ≤ 50.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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 2-methyl-1,3-thiazole-5-carbohydrazide?
The IUPAC name of 2-methyl-1,3-thiazole-5-carbohydrazide (CID 45084466) is 2-methyl-1,3-thiazole-5-carbohydrazide.
What is the SMILES notation for 2-methyl-1,3-thiazole-5-carbohydrazide?
The canonical SMILES for 2-methyl-1,3-thiazole-5-carbohydrazide is Cc1ncc(C(=O)NN)s1.
What is the InChIKey of 2-methyl-1,3-thiazole-5-carbohydrazide?
The InChIKey is ASGDXBJEPCKVFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7N3OS/c1-3-7-2-4(10-3)5(9)8-6/h2H,6H2,1H3,(H,8,9).
What are the key properties of 2-methyl-1,3-thiazole-5-carbohydrazide?
2-methyl-1,3-thiazole-5-carbohydrazide has a molecular weight of 157.20 g/mol, XLogP of 0.06, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1,3-thiazole-5-carbohydrazide is sourced from PubChem (CID 45084466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).