1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-N-methyl-4-(2-methylbutan-2-yl)cyclohexan-1-amine

C18H30N2S — CID 63405857

IUPAC1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-N-methyl-4-(2-methylbutan-2-yl)cyclohexan-1-amine
SMILESCCC(C)(C)C1CCC(NC)(c2nc3c(s2)CCC3)CC1
InChIInChI=1S/C18H30N2S/c1-5-17(2,3)13-9-11-18(19-4,12-10-13)16-20-14-7-6-8-15(14)21-16/h13,19H,5-12H2,1-4H3
InChIKeyIDLKOIQCFLGZNQ-UHFFFAOYSA-N
MW306.52 g/mol
LogP4.67
Rot. Bonds4

About 1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-N-methyl-4-(2-methylbutan-2-yl)cyclohexan-1-amine

1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-N-methyl-4-(2-methylbutan-2-yl)cyclohexan-1-amine (PubChem CID 63405857) has the molecular formula C18H30N2S and a molecular weight of 306.52 g/mol. Its IUPAC name is 1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-N-methyl-4-(2-methylbutan-2-yl)cyclohexan-1-amine.

Molecular Properties

Compound Name1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-N-methyl-4-(2-methylbutan-2-yl)cyclohexan-1-amine
PubChem CID63405857
Molecular FormulaC18H30N2S
Molecular Weight306.52 g/mol
Exact Mass306.21
IUPAC Name1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-N-methyl-4-(2-methylbutan-2-yl)cyclohexan-1-amine
SMILESCCC(C)(C)C1CCC(NC)(c2nc3c(s2)CCC3)CC1
InChIInChI=1S/C18H30N2S/c1-5-17(2,3)13-9-11-18(19-4,12-10-13)16-20-14-7-6-8-15(14)21-16/h13,19H,5-12H2,1-4H3
InChIKeyIDLKOIQCFLGZNQ-UHFFFAOYSA-N
XLogP4.67
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.52
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-N-methyl-4-(2-methylbutan-2-yl)cyclohexan-1-amine?
The IUPAC name of 1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-N-methyl-4-(2-methylbutan-2-yl)cyclohexan-1-amine (CID 63405857) is 1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-N-methyl-4-(2-methylbutan-2-yl)cyclohexan-1-amine.
What is the SMILES notation for 1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-N-methyl-4-(2-methylbutan-2-yl)cyclohexan-1-amine?
The canonical SMILES for 1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-N-methyl-4-(2-methylbutan-2-yl)cyclohexan-1-amine is CCC(C)(C)C1CCC(NC)(c2nc3c(s2)CCC3)CC1.
What is the InChIKey of 1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-N-methyl-4-(2-methylbutan-2-yl)cyclohexan-1-amine?
The InChIKey is IDLKOIQCFLGZNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2S/c1-5-17(2,3)13-9-11-18(19-4,12-10-13)16-20-14-7-6-8-15(14)21-16/h13,19H,5-12H2,1-4H3.
What are the key properties of 1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-N-methyl-4-(2-methylbutan-2-yl)cyclohexan-1-amine?
1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-N-methyl-4-(2-methylbutan-2-yl)cyclohexan-1-amine has a molecular weight of 306.52 g/mol, XLogP of 4.67, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-N-methyl-4-(2-methylbutan-2-yl)cyclohexan-1-amine is sourced from PubChem (CID 63405857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).