N-cyclohexyl-4-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-amine

C13H24N2S — CID 61246521

IUPACN-cyclohexyl-4-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-amine
SMILESCC(C)CC1CSC(NC2CCCCC2)=N1
InChIInChI=1S/C13H24N2S/c1-10(2)8-12-9-16-13(15-12)14-11-6-4-3-5-7-11/h10-12H,3-9H2,1-2H3,(H,14,15)
InChIKeyAKKJXFLKNGDMIW-UHFFFAOYSA-N
MW240.42 g/mol
LogP3.43
Rot. Bonds3

About N-cyclohexyl-4-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-amine

N-cyclohexyl-4-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-amine (PubChem CID 61246521) has the molecular formula C13H24N2S and a molecular weight of 240.42 g/mol. Its IUPAC name is N-cyclohexyl-4-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-cyclohexyl-4-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-amine
PubChem CID61246521
Molecular FormulaC13H24N2S
Molecular Weight240.42 g/mol
Exact Mass240.17
IUPAC NameN-cyclohexyl-4-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-amine
SMILESCC(C)CC1CSC(NC2CCCCC2)=N1
InChIInChI=1S/C13H24N2S/c1-10(2)8-12-9-16-13(15-12)14-11-6-4-3-5-7-11/h10-12H,3-9H2,1-2H3,(H,14,15)
InChIKeyAKKJXFLKNGDMIW-UHFFFAOYSA-N
XLogP3.43
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.42
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-4-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-amine?
The IUPAC name of N-cyclohexyl-4-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-amine (CID 61246521) is N-cyclohexyl-4-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-amine.
What is the SMILES notation for N-cyclohexyl-4-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-amine?
The canonical SMILES for N-cyclohexyl-4-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-amine is CC(C)CC1CSC(NC2CCCCC2)=N1.
What is the InChIKey of N-cyclohexyl-4-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-amine?
The InChIKey is AKKJXFLKNGDMIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2S/c1-10(2)8-12-9-16-13(15-12)14-11-6-4-3-5-7-11/h10-12H,3-9H2,1-2H3,(H,14,15).
What are the key properties of N-cyclohexyl-4-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-amine?
N-cyclohexyl-4-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-amine has a molecular weight of 240.42 g/mol, XLogP of 3.43, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-4-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-amine is sourced from PubChem (CID 61246521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).