1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-4,4-dimethyl-2,3-dihydronaphthalen-1-amine

C18H22N2S — CID 61333068

IUPAC1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-4,4-dimethyl-2,3-dihydronaphthalen-1-amine
SMILESCC1(C)CCC(N)(c2nc3c(s2)CCC3)c2ccccc21
InChIInChI=1S/C18H22N2S/c1-17(2)10-11-18(19,13-7-4-3-6-12(13)17)16-20-14-8-5-9-15(14)21-16/h3-4,6-7H,5,8-11,19H2,1-2H3
InChIKeyPCBOFIAVZCJODV-UHFFFAOYSA-N
MW298.46 g/mol
LogP3.91
Rot. Bonds1

About 1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-4,4-dimethyl-2,3-dihydronaphthalen-1-amine

1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-4,4-dimethyl-2,3-dihydronaphthalen-1-amine (PubChem CID 61333068) has the molecular formula C18H22N2S and a molecular weight of 298.46 g/mol. Its IUPAC name is 1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-4,4-dimethyl-2,3-dihydronaphthalen-1-amine.

Molecular Properties

Compound Name1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-4,4-dimethyl-2,3-dihydronaphthalen-1-amine
PubChem CID61333068
Molecular FormulaC18H22N2S
Molecular Weight298.46 g/mol
Exact Mass298.15
IUPAC Name1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-4,4-dimethyl-2,3-dihydronaphthalen-1-amine
SMILESCC1(C)CCC(N)(c2nc3c(s2)CCC3)c2ccccc21
InChIInChI=1S/C18H22N2S/c1-17(2)10-11-18(19,13-7-4-3-6-12(13)17)16-20-14-8-5-9-15(14)21-16/h3-4,6-7H,5,8-11,19H2,1-2H3
InChIKeyPCBOFIAVZCJODV-UHFFFAOYSA-N
XLogP3.91
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.46
LogP ≤ 53.91
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)-4,4-dimethyl-2,3-dihydronaphthalen-1-amine?
The IUPAC name of 1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-4,4-dimethyl-2,3-dihydronaphthalen-1-amine (CID 61333068) is 1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-4,4-dimethyl-2,3-dihydronaphthalen-1-amine.
What is the SMILES notation for 1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-4,4-dimethyl-2,3-dihydronaphthalen-1-amine?
The canonical SMILES for 1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-4,4-dimethyl-2,3-dihydronaphthalen-1-amine is CC1(C)CCC(N)(c2nc3c(s2)CCC3)c2ccccc21.
What is the InChIKey of 1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-4,4-dimethyl-2,3-dihydronaphthalen-1-amine?
The InChIKey is PCBOFIAVZCJODV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2S/c1-17(2)10-11-18(19,13-7-4-3-6-12(13)17)16-20-14-8-5-9-15(14)21-16/h3-4,6-7H,5,8-11,19H2,1-2H3.
What are the key properties of 1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-4,4-dimethyl-2,3-dihydronaphthalen-1-amine?
1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-4,4-dimethyl-2,3-dihydronaphthalen-1-amine has a molecular weight of 298.46 g/mol, XLogP of 3.91, 1 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)-4,4-dimethyl-2,3-dihydronaphthalen-1-amine is sourced from PubChem (CID 61333068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).