N-(cyclohexylmethyl)-4,5-dimethyl-1,3-thiazol-2-amine

C12H20N2S — CID 65169533

IUPACN-(cyclohexylmethyl)-4,5-dimethyl-1,3-thiazol-2-amine
SMILESCc1nc(NCC2CCCCC2)sc1C
InChIInChI=1S/C12H20N2S/c1-9-10(2)15-12(14-9)13-8-11-6-4-3-5-7-11/h11H,3-8H2,1-2H3,(H,13,14)
InChIKeyNWAGSWLXRSULSU-UHFFFAOYSA-N
MW224.37 g/mol
LogP3.75
Rot. Bonds3

About N-(cyclohexylmethyl)-4,5-dimethyl-1,3-thiazol-2-amine

N-(cyclohexylmethyl)-4,5-dimethyl-1,3-thiazol-2-amine (PubChem CID 65169533) has the molecular formula C12H20N2S and a molecular weight of 224.37 g/mol. Its IUPAC name is N-(cyclohexylmethyl)-4,5-dimethyl-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-(cyclohexylmethyl)-4,5-dimethyl-1,3-thiazol-2-amine
PubChem CID65169533
Molecular FormulaC12H20N2S
Molecular Weight224.37 g/mol
Exact Mass224.13
IUPAC NameN-(cyclohexylmethyl)-4,5-dimethyl-1,3-thiazol-2-amine
SMILESCc1nc(NCC2CCCCC2)sc1C
InChIInChI=1S/C12H20N2S/c1-9-10(2)15-12(14-9)13-8-11-6-4-3-5-7-11/h11H,3-8H2,1-2H3,(H,13,14)
InChIKeyNWAGSWLXRSULSU-UHFFFAOYSA-N
XLogP3.75
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.37
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(cyclohexylmethyl)-4,5-dimethyl-1,3-thiazol-2-amine?
The IUPAC name of N-(cyclohexylmethyl)-4,5-dimethyl-1,3-thiazol-2-amine (CID 65169533) is N-(cyclohexylmethyl)-4,5-dimethyl-1,3-thiazol-2-amine.
What is the SMILES notation for N-(cyclohexylmethyl)-4,5-dimethyl-1,3-thiazol-2-amine?
The canonical SMILES for N-(cyclohexylmethyl)-4,5-dimethyl-1,3-thiazol-2-amine is Cc1nc(NCC2CCCCC2)sc1C.
What is the InChIKey of N-(cyclohexylmethyl)-4,5-dimethyl-1,3-thiazol-2-amine?
The InChIKey is NWAGSWLXRSULSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2S/c1-9-10(2)15-12(14-9)13-8-11-6-4-3-5-7-11/h11H,3-8H2,1-2H3,(H,13,14).
What are the key properties of N-(cyclohexylmethyl)-4,5-dimethyl-1,3-thiazol-2-amine?
N-(cyclohexylmethyl)-4,5-dimethyl-1,3-thiazol-2-amine has a molecular weight of 224.37 g/mol, XLogP of 3.75, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohexylmethyl)-4,5-dimethyl-1,3-thiazol-2-amine is sourced from PubChem (CID 65169533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).