N-methyl-N-(1,3-thiazol-4-ylmethyl)cyclohexanecarboximidamide

C12H19N3S — CID 63176490

IUPACN-methyl-N-(1,3-thiazol-4-ylmethyl)cyclohexanecarboximidamide
SMILES[H]/N=C(/C1CCCCC1)N(C)Cc1cscn1
InChIInChI=1S/C12H19N3S/c1-15(7-11-8-16-9-14-11)12(13)10-5-3-2-4-6-10/h8-10,13H,2-7H2,1H3/b13-12-
InChIKeyIDWIOVAMXKJKJA-SEYXRHQNSA-N
MW237.37 g/mol
LogP3.13
Rot. Bonds3

About N-methyl-N-(1,3-thiazol-4-ylmethyl)cyclohexanecarboximidamide

N-methyl-N-(1,3-thiazol-4-ylmethyl)cyclohexanecarboximidamide (PubChem CID 63176490) has the molecular formula C12H19N3S and a molecular weight of 237.37 g/mol. Its IUPAC name is N-methyl-N-(1,3-thiazol-4-ylmethyl)cyclohexanecarboximidamide.

Molecular Properties

Compound NameN-methyl-N-(1,3-thiazol-4-ylmethyl)cyclohexanecarboximidamide
PubChem CID63176490
Molecular FormulaC12H19N3S
Molecular Weight237.37 g/mol
Exact Mass237.13
IUPAC NameN-methyl-N-(1,3-thiazol-4-ylmethyl)cyclohexanecarboximidamide
SMILES[H]/N=C(/C1CCCCC1)N(C)Cc1cscn1
InChIInChI=1S/C12H19N3S/c1-15(7-11-8-16-9-14-11)12(13)10-5-3-2-4-6-10/h8-10,13H,2-7H2,1H3/b13-12-
InChIKeyIDWIOVAMXKJKJA-SEYXRHQNSA-N
XLogP3.13
TPSA39.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.37
LogP ≤ 53.13
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-methyl-N-(1,3-thiazol-4-ylmethyl)cyclohexanecarboximidamide?
The IUPAC name of N-methyl-N-(1,3-thiazol-4-ylmethyl)cyclohexanecarboximidamide (CID 63176490) is N-methyl-N-(1,3-thiazol-4-ylmethyl)cyclohexanecarboximidamide.
What is the SMILES notation for N-methyl-N-(1,3-thiazol-4-ylmethyl)cyclohexanecarboximidamide?
The canonical SMILES for N-methyl-N-(1,3-thiazol-4-ylmethyl)cyclohexanecarboximidamide is [H]/N=C(/C1CCCCC1)N(C)Cc1cscn1.
What is the InChIKey of N-methyl-N-(1,3-thiazol-4-ylmethyl)cyclohexanecarboximidamide?
The InChIKey is IDWIOVAMXKJKJA-SEYXRHQNSA-N. The full InChI is InChI=1S/C12H19N3S/c1-15(7-11-8-16-9-14-11)12(13)10-5-3-2-4-6-10/h8-10,13H,2-7H2,1H3/b13-12-.
What are the key properties of N-methyl-N-(1,3-thiazol-4-ylmethyl)cyclohexanecarboximidamide?
N-methyl-N-(1,3-thiazol-4-ylmethyl)cyclohexanecarboximidamide has a molecular weight of 237.37 g/mol, XLogP of 3.13, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(1,3-thiazol-4-ylmethyl)cyclohexanecarboximidamide is sourced from PubChem (CID 63176490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).