4-cyclopropyl-2-(dimethylamino)-1,3-thiazole-5-carbohydrazide

C9H14N4OS — CID 82437972

IUPAC4-cyclopropyl-2-(dimethylamino)-1,3-thiazole-5-carbohydrazide
SMILESCN(C)c1nc(C2CC2)c(C(=O)NN)s1
InChIInChI=1S/C9H14N4OS/c1-13(2)9-11-6(5-3-4-5)7(15-9)8(14)12-10/h5H,3-4,10H2,1-2H3,(H,12,14)
InChIKeyVRXDFRYKWRSIOW-UHFFFAOYSA-N
MW226.30 g/mol
LogP0.69
Rot. Bonds3

About 4-cyclopropyl-2-(dimethylamino)-1,3-thiazole-5-carbohydrazide

4-cyclopropyl-2-(dimethylamino)-1,3-thiazole-5-carbohydrazide (PubChem CID 82437972) has the molecular formula C9H14N4OS and a molecular weight of 226.30 g/mol. Its IUPAC name is 4-cyclopropyl-2-(dimethylamino)-1,3-thiazole-5-carbohydrazide.

Molecular Properties

Compound Name4-cyclopropyl-2-(dimethylamino)-1,3-thiazole-5-carbohydrazide
PubChem CID82437972
Molecular FormulaC9H14N4OS
Molecular Weight226.30 g/mol
Exact Mass226.09
IUPAC Name4-cyclopropyl-2-(dimethylamino)-1,3-thiazole-5-carbohydrazide
SMILESCN(C)c1nc(C2CC2)c(C(=O)NN)s1
InChIInChI=1S/C9H14N4OS/c1-13(2)9-11-6(5-3-4-5)7(15-9)8(14)12-10/h5H,3-4,10H2,1-2H3,(H,12,14)
InChIKeyVRXDFRYKWRSIOW-UHFFFAOYSA-N
XLogP0.69
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.30
LogP ≤ 50.69
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-cyclopropyl-2-(dimethylamino)-1,3-thiazole-5-carbohydrazide?
The IUPAC name of 4-cyclopropyl-2-(dimethylamino)-1,3-thiazole-5-carbohydrazide (CID 82437972) is 4-cyclopropyl-2-(dimethylamino)-1,3-thiazole-5-carbohydrazide.
What is the SMILES notation for 4-cyclopropyl-2-(dimethylamino)-1,3-thiazole-5-carbohydrazide?
The canonical SMILES for 4-cyclopropyl-2-(dimethylamino)-1,3-thiazole-5-carbohydrazide is CN(C)c1nc(C2CC2)c(C(=O)NN)s1.
What is the InChIKey of 4-cyclopropyl-2-(dimethylamino)-1,3-thiazole-5-carbohydrazide?
The InChIKey is VRXDFRYKWRSIOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4OS/c1-13(2)9-11-6(5-3-4-5)7(15-9)8(14)12-10/h5H,3-4,10H2,1-2H3,(H,12,14).
What are the key properties of 4-cyclopropyl-2-(dimethylamino)-1,3-thiazole-5-carbohydrazide?
4-cyclopropyl-2-(dimethylamino)-1,3-thiazole-5-carbohydrazide has a molecular weight of 226.30 g/mol, XLogP of 0.69, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropyl-2-(dimethylamino)-1,3-thiazole-5-carbohydrazide is sourced from PubChem (CID 82437972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).