N'-(1,3-thiazol-2-ylmethyl)cyclohexanecarboximidamide

C11H17N3S — CID 63177246

IUPACN'-(1,3-thiazol-2-ylmethyl)cyclohexanecarboximidamide
SMILESN/C(=N\Cc1nccs1)C1CCCCC1
InChIInChI=1S/C11H17N3S/c12-11(9-4-2-1-3-5-9)14-8-10-13-6-7-15-10/h6-7,9H,1-5,8H2,(H2,12,14)
InChIKeyFRWDBKITIDUEIX-UHFFFAOYSA-N
MW223.34 g/mol
LogP2.58
Rot. Bonds3

About N'-(1,3-thiazol-2-ylmethyl)cyclohexanecarboximidamide

N'-(1,3-thiazol-2-ylmethyl)cyclohexanecarboximidamide (PubChem CID 63177246) has the molecular formula C11H17N3S and a molecular weight of 223.34 g/mol. Its IUPAC name is N'-(1,3-thiazol-2-ylmethyl)cyclohexanecarboximidamide.

Molecular Properties

Compound NameN'-(1,3-thiazol-2-ylmethyl)cyclohexanecarboximidamide
PubChem CID63177246
Molecular FormulaC11H17N3S
Molecular Weight223.34 g/mol
Exact Mass223.11
IUPAC NameN'-(1,3-thiazol-2-ylmethyl)cyclohexanecarboximidamide
SMILESN/C(=N\Cc1nccs1)C1CCCCC1
InChIInChI=1S/C11H17N3S/c12-11(9-4-2-1-3-5-9)14-8-10-13-6-7-15-10/h6-7,9H,1-5,8H2,(H2,12,14)
InChIKeyFRWDBKITIDUEIX-UHFFFAOYSA-N
XLogP2.58
TPSA51.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.34
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-(1,3-thiazol-2-ylmethyl)cyclohexanecarboximidamide?
The IUPAC name of N'-(1,3-thiazol-2-ylmethyl)cyclohexanecarboximidamide (CID 63177246) is N'-(1,3-thiazol-2-ylmethyl)cyclohexanecarboximidamide.
What is the SMILES notation for N'-(1,3-thiazol-2-ylmethyl)cyclohexanecarboximidamide?
The canonical SMILES for N'-(1,3-thiazol-2-ylmethyl)cyclohexanecarboximidamide is N/C(=N\Cc1nccs1)C1CCCCC1.
What is the InChIKey of N'-(1,3-thiazol-2-ylmethyl)cyclohexanecarboximidamide?
The InChIKey is FRWDBKITIDUEIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3S/c12-11(9-4-2-1-3-5-9)14-8-10-13-6-7-15-10/h6-7,9H,1-5,8H2,(H2,12,14).
What are the key properties of N'-(1,3-thiazol-2-ylmethyl)cyclohexanecarboximidamide?
N'-(1,3-thiazol-2-ylmethyl)cyclohexanecarboximidamide has a molecular weight of 223.34 g/mol, XLogP of 2.58, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(1,3-thiazol-2-ylmethyl)cyclohexanecarboximidamide is sourced from PubChem (CID 63177246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).