N-[2-cyclohexyl-1-(2,3-dimethylcyclohexyl)ethyl]-4,5-dihydro-1,3-thiazol-2-amine

C19H34N2S — CID 140539597

IUPACN-[2-cyclohexyl-1-(2,3-dimethylcyclohexyl)ethyl]-4,5-dihydro-1,3-thiazol-2-amine
SMILESCC1CCCC(C(CC2CCCCC2)NC2=NCCS2)C1C
InChIInChI=1S/C19H34N2S/c1-14-7-6-10-17(15(14)2)18(21-19-20-11-12-22-19)13-16-8-4-3-5-9-16/h14-18H,3-13H2,1-2H3,(H,20,21)
InChIKeySPELXVJULASTJV-UHFFFAOYSA-N
MW322.56 g/mol
LogP5.09
Rot. Bonds4

About N-[2-cyclohexyl-1-(2,3-dimethylcyclohexyl)ethyl]-4,5-dihydro-1,3-thiazol-2-amine

N-[2-cyclohexyl-1-(2,3-dimethylcyclohexyl)ethyl]-4,5-dihydro-1,3-thiazol-2-amine (PubChem CID 140539597) has the molecular formula C19H34N2S and a molecular weight of 322.56 g/mol. Its IUPAC name is N-[2-cyclohexyl-1-(2,3-dimethylcyclohexyl)ethyl]-4,5-dihydro-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-[2-cyclohexyl-1-(2,3-dimethylcyclohexyl)ethyl]-4,5-dihydro-1,3-thiazol-2-amine
PubChem CID140539597
Molecular FormulaC19H34N2S
Molecular Weight322.56 g/mol
Exact Mass322.24
IUPAC NameN-[2-cyclohexyl-1-(2,3-dimethylcyclohexyl)ethyl]-4,5-dihydro-1,3-thiazol-2-amine
SMILESCC1CCCC(C(CC2CCCCC2)NC2=NCCS2)C1C
InChIInChI=1S/C19H34N2S/c1-14-7-6-10-17(15(14)2)18(21-19-20-11-12-22-19)13-16-8-4-3-5-9-16/h14-18H,3-13H2,1-2H3,(H,20,21)
InChIKeySPELXVJULASTJV-UHFFFAOYSA-N
XLogP5.09
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500322.56
LogP ≤ 55.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-cyclohexyl-1-(2,3-dimethylcyclohexyl)ethyl]-4,5-dihydro-1,3-thiazol-2-amine?
The IUPAC name of N-[2-cyclohexyl-1-(2,3-dimethylcyclohexyl)ethyl]-4,5-dihydro-1,3-thiazol-2-amine (CID 140539597) is N-[2-cyclohexyl-1-(2,3-dimethylcyclohexyl)ethyl]-4,5-dihydro-1,3-thiazol-2-amine.
What is the SMILES notation for N-[2-cyclohexyl-1-(2,3-dimethylcyclohexyl)ethyl]-4,5-dihydro-1,3-thiazol-2-amine?
The canonical SMILES for N-[2-cyclohexyl-1-(2,3-dimethylcyclohexyl)ethyl]-4,5-dihydro-1,3-thiazol-2-amine is CC1CCCC(C(CC2CCCCC2)NC2=NCCS2)C1C.
What is the InChIKey of N-[2-cyclohexyl-1-(2,3-dimethylcyclohexyl)ethyl]-4,5-dihydro-1,3-thiazol-2-amine?
The InChIKey is SPELXVJULASTJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H34N2S/c1-14-7-6-10-17(15(14)2)18(21-19-20-11-12-22-19)13-16-8-4-3-5-9-16/h14-18H,3-13H2,1-2H3,(H,20,21).
What are the key properties of N-[2-cyclohexyl-1-(2,3-dimethylcyclohexyl)ethyl]-4,5-dihydro-1,3-thiazol-2-amine?
N-[2-cyclohexyl-1-(2,3-dimethylcyclohexyl)ethyl]-4,5-dihydro-1,3-thiazol-2-amine has a molecular weight of 322.56 g/mol, XLogP of 5.09, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-cyclohexyl-1-(2,3-dimethylcyclohexyl)ethyl]-4,5-dihydro-1,3-thiazol-2-amine is sourced from PubChem (CID 140539597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).