4-(4-methyl-1,3-thiazol-2-yl)cyclohexane-1-carbohydrazide

C11H17N3OS — CID 58509475

IUPAC4-(4-methyl-1,3-thiazol-2-yl)cyclohexane-1-carbohydrazide
SMILESCc1csc(C2CCC(C(=O)NN)CC2)n1
InChIInChI=1S/C11H17N3OS/c1-7-6-16-11(13-7)9-4-2-8(3-5-9)10(15)14-12/h6,8-9H,2-5,12H2,1H3,(H,14,15)
InChIKeyUPDMSUJMHOVORP-UHFFFAOYSA-N
MW239.34 g/mol
LogP1.72
Rot. Bonds2

About 4-(4-methyl-1,3-thiazol-2-yl)cyclohexane-1-carbohydrazide

4-(4-methyl-1,3-thiazol-2-yl)cyclohexane-1-carbohydrazide (PubChem CID 58509475) has the molecular formula C11H17N3OS and a molecular weight of 239.34 g/mol. Its IUPAC name is 4-(4-methyl-1,3-thiazol-2-yl)cyclohexane-1-carbohydrazide.

Molecular Properties

Compound Name4-(4-methyl-1,3-thiazol-2-yl)cyclohexane-1-carbohydrazide
PubChem CID58509475
Molecular FormulaC11H17N3OS
Molecular Weight239.34 g/mol
Exact Mass239.11
IUPAC Name4-(4-methyl-1,3-thiazol-2-yl)cyclohexane-1-carbohydrazide
SMILESCc1csc(C2CCC(C(=O)NN)CC2)n1
InChIInChI=1S/C11H17N3OS/c1-7-6-16-11(13-7)9-4-2-8(3-5-9)10(15)14-12/h6,8-9H,2-5,12H2,1H3,(H,14,15)
InChIKeyUPDMSUJMHOVORP-UHFFFAOYSA-N
XLogP1.72
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.34
LogP ≤ 51.72
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-(4-methyl-1,3-thiazol-2-yl)cyclohexane-1-carbohydrazide?
The IUPAC name of 4-(4-methyl-1,3-thiazol-2-yl)cyclohexane-1-carbohydrazide (CID 58509475) is 4-(4-methyl-1,3-thiazol-2-yl)cyclohexane-1-carbohydrazide.
What is the SMILES notation for 4-(4-methyl-1,3-thiazol-2-yl)cyclohexane-1-carbohydrazide?
The canonical SMILES for 4-(4-methyl-1,3-thiazol-2-yl)cyclohexane-1-carbohydrazide is Cc1csc(C2CCC(C(=O)NN)CC2)n1.
What is the InChIKey of 4-(4-methyl-1,3-thiazol-2-yl)cyclohexane-1-carbohydrazide?
The InChIKey is UPDMSUJMHOVORP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3OS/c1-7-6-16-11(13-7)9-4-2-8(3-5-9)10(15)14-12/h6,8-9H,2-5,12H2,1H3,(H,14,15).
What are the key properties of 4-(4-methyl-1,3-thiazol-2-yl)cyclohexane-1-carbohydrazide?
4-(4-methyl-1,3-thiazol-2-yl)cyclohexane-1-carbohydrazide has a molecular weight of 239.34 g/mol, XLogP of 1.72, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methyl-1,3-thiazol-2-yl)cyclohexane-1-carbohydrazide is sourced from PubChem (CID 58509475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).