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

C14H22N2S — CID 65085220

IUPAC1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-4-methylcycloheptan-1-amine
SMILESCC1CCCC(N)(c2nc3c(s2)CCC3)CC1
InChIInChI=1S/C14H22N2S/c1-10-4-3-8-14(15,9-7-10)13-16-11-5-2-6-12(11)17-13/h10H,2-9,15H2,1H3
InChIKeyOGRRFJUCTXEMEU-UHFFFAOYSA-N
MW250.41 g/mol
LogP3.39
Rot. Bonds1

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

1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-4-methylcycloheptan-1-amine (PubChem CID 65085220) 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)-4-methylcycloheptan-1-amine.

Molecular Properties

Compound Name1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-4-methylcycloheptan-1-amine
PubChem CID65085220
Molecular FormulaC14H22N2S
Molecular Weight250.41 g/mol
Exact Mass250.15
IUPAC Name1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-4-methylcycloheptan-1-amine
SMILESCC1CCCC(N)(c2nc3c(s2)CCC3)CC1
InChIInChI=1S/C14H22N2S/c1-10-4-3-8-14(15,9-7-10)13-16-11-5-2-6-12(11)17-13/h10H,2-9,15H2,1H3
InChIKeyOGRRFJUCTXEMEU-UHFFFAOYSA-N
XLogP3.39
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 ≤ 53.39
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-methylcycloheptan-1-amine?
The IUPAC name of 1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-4-methylcycloheptan-1-amine (CID 65085220) is 1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-4-methylcycloheptan-1-amine.
What is the SMILES notation for 1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-4-methylcycloheptan-1-amine?
The canonical SMILES for 1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-4-methylcycloheptan-1-amine is CC1CCCC(N)(c2nc3c(s2)CCC3)CC1.
What is the InChIKey of 1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-4-methylcycloheptan-1-amine?
The InChIKey is OGRRFJUCTXEMEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2S/c1-10-4-3-8-14(15,9-7-10)13-16-11-5-2-6-12(11)17-13/h10H,2-9,15H2,1H3.
What are the key properties of 1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-4-methylcycloheptan-1-amine?
1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-4-methylcycloheptan-1-amine has a molecular weight of 250.41 g/mol, XLogP of 3.39, 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-methylcycloheptan-1-amine is sourced from PubChem (CID 65085220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).