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

C14H22N2S — CID 64754364

IUPAC1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-2,5-dimethylcyclohexan-1-amine
SMILESCC1CCC(C)C(N)(c2nc3c(s2)CCC3)C1
InChIInChI=1S/C14H22N2S/c1-9-6-7-10(2)14(15,8-9)13-16-11-4-3-5-12(11)17-13/h9-10H,3-8,15H2,1-2H3
InChIKeyMDVZSVCGPZJGCH-UHFFFAOYSA-N
MW250.41 g/mol
LogP3.24
Rot. Bonds1

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

1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-2,5-dimethylcyclohexan-1-amine (PubChem CID 64754364) has the molecular formula C14H22N2S and a molecular weight of 250.41 g/mol. Its IUPAC name is 1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-2,5-dimethylcyclohexan-1-amine.

Molecular Properties

Compound Name1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-2,5-dimethylcyclohexan-1-amine
PubChem CID64754364
Molecular FormulaC14H22N2S
Molecular Weight250.41 g/mol
Exact Mass250.15
IUPAC Name1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-2,5-dimethylcyclohexan-1-amine
SMILESCC1CCC(C)C(N)(c2nc3c(s2)CCC3)C1
InChIInChI=1S/C14H22N2S/c1-9-6-7-10(2)14(15,8-9)13-16-11-4-3-5-12(11)17-13/h9-10H,3-8,15H2,1-2H3
InChIKeyMDVZSVCGPZJGCH-UHFFFAOYSA-N
XLogP3.24
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.41
LogP ≤ 53.24
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)-2,5-dimethylcyclohexan-1-amine?
The IUPAC name of 1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-2,5-dimethylcyclohexan-1-amine (CID 64754364) is 1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-2,5-dimethylcyclohexan-1-amine.
What is the SMILES notation for 1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-2,5-dimethylcyclohexan-1-amine?
The canonical SMILES for 1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-2,5-dimethylcyclohexan-1-amine is CC1CCC(C)C(N)(c2nc3c(s2)CCC3)C1.
What is the InChIKey of 1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-2,5-dimethylcyclohexan-1-amine?
The InChIKey is MDVZSVCGPZJGCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2S/c1-9-6-7-10(2)14(15,8-9)13-16-11-4-3-5-12(11)17-13/h9-10H,3-8,15H2,1-2H3.
What are the key properties of 1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-2,5-dimethylcyclohexan-1-amine?
1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-2,5-dimethylcyclohexan-1-amine has a molecular weight of 250.41 g/mol, XLogP of 3.24, 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)-2,5-dimethylcyclohexan-1-amine is sourced from PubChem (CID 64754364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).