N-(4,4-dimethylcyclohexyl)-5-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-amine

C16H30N2S — CID 106285326

IUPACN-(4,4-dimethylcyclohexyl)-5-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-amine
SMILESCCC(CC)C1CN=C(NC2CCC(C)(C)CC2)S1
InChIInChI=1S/C16H30N2S/c1-5-12(6-2)14-11-17-15(19-14)18-13-7-9-16(3,4)10-8-13/h12-14H,5-11H2,1-4H3,(H,17,18)
InChIKeyGIXWGUNGSJABFD-UHFFFAOYSA-N
MW282.50 g/mol
LogP4.45
Rot. Bonds4

About N-(4,4-dimethylcyclohexyl)-5-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-amine

N-(4,4-dimethylcyclohexyl)-5-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-amine (PubChem CID 106285326) has the molecular formula C16H30N2S and a molecular weight of 282.50 g/mol. Its IUPAC name is N-(4,4-dimethylcyclohexyl)-5-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-(4,4-dimethylcyclohexyl)-5-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-amine
PubChem CID106285326
Molecular FormulaC16H30N2S
Molecular Weight282.50 g/mol
Exact Mass282.21
IUPAC NameN-(4,4-dimethylcyclohexyl)-5-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-amine
SMILESCCC(CC)C1CN=C(NC2CCC(C)(C)CC2)S1
InChIInChI=1S/C16H30N2S/c1-5-12(6-2)14-11-17-15(19-14)18-13-7-9-16(3,4)10-8-13/h12-14H,5-11H2,1-4H3,(H,17,18)
InChIKeyGIXWGUNGSJABFD-UHFFFAOYSA-N
XLogP4.45
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.50
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4,4-dimethylcyclohexyl)-5-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-amine?
The IUPAC name of N-(4,4-dimethylcyclohexyl)-5-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-amine (CID 106285326) is N-(4,4-dimethylcyclohexyl)-5-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-amine.
What is the SMILES notation for N-(4,4-dimethylcyclohexyl)-5-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-amine?
The canonical SMILES for N-(4,4-dimethylcyclohexyl)-5-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-amine is CCC(CC)C1CN=C(NC2CCC(C)(C)CC2)S1.
What is the InChIKey of N-(4,4-dimethylcyclohexyl)-5-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-amine?
The InChIKey is GIXWGUNGSJABFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2S/c1-5-12(6-2)14-11-17-15(19-14)18-13-7-9-16(3,4)10-8-13/h12-14H,5-11H2,1-4H3,(H,17,18).
What are the key properties of N-(4,4-dimethylcyclohexyl)-5-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-amine?
N-(4,4-dimethylcyclohexyl)-5-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-amine has a molecular weight of 282.50 g/mol, XLogP of 4.45, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,4-dimethylcyclohexyl)-5-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-amine is sourced from PubChem (CID 106285326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).