N',5-dimethyl-1,3-thiazole-2-carbohydrazide

C6H9N3OS — CID 70669501

IUPACN',5-dimethyl-1,3-thiazole-2-carbohydrazide
SMILESCNNC(=O)c1ncc(C)s1
InChIInChI=1S/C6H9N3OS/c1-4-3-8-6(11-4)5(10)9-7-2/h3,7H,1-2H3,(H,9,10)
InChIKeyRNYTZZMXDSFXJB-UHFFFAOYSA-N
MW171.22 g/mol
LogP0.32
Rot. Bonds2

About N',5-dimethyl-1,3-thiazole-2-carbohydrazide

N',5-dimethyl-1,3-thiazole-2-carbohydrazide (PubChem CID 70669501) has the molecular formula C6H9N3OS and a molecular weight of 171.22 g/mol. Its IUPAC name is N',5-dimethyl-1,3-thiazole-2-carbohydrazide.

Molecular Properties

Compound NameN',5-dimethyl-1,3-thiazole-2-carbohydrazide
PubChem CID70669501
Molecular FormulaC6H9N3OS
Molecular Weight171.22 g/mol
Exact Mass171.05
IUPAC NameN',5-dimethyl-1,3-thiazole-2-carbohydrazide
SMILESCNNC(=O)c1ncc(C)s1
InChIInChI=1S/C6H9N3OS/c1-4-3-8-6(11-4)5(10)9-7-2/h3,7H,1-2H3,(H,9,10)
InChIKeyRNYTZZMXDSFXJB-UHFFFAOYSA-N
XLogP0.32
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.22
LogP ≤ 50.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N',5-dimethyl-1,3-thiazole-2-carbohydrazide?
The IUPAC name of N',5-dimethyl-1,3-thiazole-2-carbohydrazide (CID 70669501) is N',5-dimethyl-1,3-thiazole-2-carbohydrazide.
What is the SMILES notation for N',5-dimethyl-1,3-thiazole-2-carbohydrazide?
The canonical SMILES for N',5-dimethyl-1,3-thiazole-2-carbohydrazide is CNNC(=O)c1ncc(C)s1.
What is the InChIKey of N',5-dimethyl-1,3-thiazole-2-carbohydrazide?
The InChIKey is RNYTZZMXDSFXJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N3OS/c1-4-3-8-6(11-4)5(10)9-7-2/h3,7H,1-2H3,(H,9,10).
What are the key properties of N',5-dimethyl-1,3-thiazole-2-carbohydrazide?
N',5-dimethyl-1,3-thiazole-2-carbohydrazide has a molecular weight of 171.22 g/mol, XLogP of 0.32, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N',5-dimethyl-1,3-thiazole-2-carbohydrazide is sourced from PubChem (CID 70669501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).