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

C5H7N3OS — CID 11228937

IUPAC4-methyl-1,3-thiazole-2-carbohydrazide
SMILESCc1csc(C(=O)NN)n1
InChIInChI=1S/C5H7N3OS/c1-3-2-10-5(7-3)4(9)8-6/h2H,6H2,1H3,(H,8,9)
InChIKeyKRXWBFGOEMMEMO-UHFFFAOYSA-N
MW157.20 g/mol
LogP0.06
Rot. Bonds1

About 4-methyl-1,3-thiazole-2-carbohydrazide

4-methyl-1,3-thiazole-2-carbohydrazide (PubChem CID 11228937) has the molecular formula C5H7N3OS and a molecular weight of 157.20 g/mol. Its IUPAC name is 4-methyl-1,3-thiazole-2-carbohydrazide.

Molecular Properties

Compound Name4-methyl-1,3-thiazole-2-carbohydrazide
PubChem CID11228937
Molecular FormulaC5H7N3OS
Molecular Weight157.20 g/mol
Exact Mass157.03
IUPAC Name4-methyl-1,3-thiazole-2-carbohydrazide
SMILESCc1csc(C(=O)NN)n1
InChIInChI=1S/C5H7N3OS/c1-3-2-10-5(7-3)4(9)8-6/h2H,6H2,1H3,(H,8,9)
InChIKeyKRXWBFGOEMMEMO-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 4-methyl-1,3-thiazole-2-carbohydrazide?
The IUPAC name of 4-methyl-1,3-thiazole-2-carbohydrazide (CID 11228937) is 4-methyl-1,3-thiazole-2-carbohydrazide.
What is the SMILES notation for 4-methyl-1,3-thiazole-2-carbohydrazide?
The canonical SMILES for 4-methyl-1,3-thiazole-2-carbohydrazide is Cc1csc(C(=O)NN)n1.
What is the InChIKey of 4-methyl-1,3-thiazole-2-carbohydrazide?
The InChIKey is KRXWBFGOEMMEMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7N3OS/c1-3-2-10-5(7-3)4(9)8-6/h2H,6H2,1H3,(H,8,9).
What are the key properties of 4-methyl-1,3-thiazole-2-carbohydrazide?
4-methyl-1,3-thiazole-2-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 4-methyl-1,3-thiazole-2-carbohydrazide is sourced from PubChem (CID 11228937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).