2-(3-ethylcyclopentyl)-N-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine

C15H24N2S — CID 65403634

IUPAC2-(3-ethylcyclopentyl)-N-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine
SMILESCCC1CCC(c2nc3c(s2)C(NC)CCC3)C1
InChIInChI=1S/C15H24N2S/c1-3-10-7-8-11(9-10)15-17-13-6-4-5-12(16-2)14(13)18-15/h10-12,16H,3-9H2,1-2H3
InChIKeyWUIWXNWMCPOSRX-UHFFFAOYSA-N
MW264.44 g/mol
LogP4.03
Rot. Bonds3

About 2-(3-ethylcyclopentyl)-N-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine

2-(3-ethylcyclopentyl)-N-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine (PubChem CID 65403634) has the molecular formula C15H24N2S and a molecular weight of 264.44 g/mol. Its IUPAC name is 2-(3-ethylcyclopentyl)-N-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine.

Molecular Properties

Compound Name2-(3-ethylcyclopentyl)-N-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine
PubChem CID65403634
Molecular FormulaC15H24N2S
Molecular Weight264.44 g/mol
Exact Mass264.17
IUPAC Name2-(3-ethylcyclopentyl)-N-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine
SMILESCCC1CCC(c2nc3c(s2)C(NC)CCC3)C1
InChIInChI=1S/C15H24N2S/c1-3-10-7-8-11(9-10)15-17-13-6-4-5-12(16-2)14(13)18-15/h10-12,16H,3-9H2,1-2H3
InChIKeyWUIWXNWMCPOSRX-UHFFFAOYSA-N
XLogP4.03
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.44
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3-ethylcyclopentyl)-N-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine?
The IUPAC name of 2-(3-ethylcyclopentyl)-N-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine (CID 65403634) is 2-(3-ethylcyclopentyl)-N-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine.
What is the SMILES notation for 2-(3-ethylcyclopentyl)-N-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine?
The canonical SMILES for 2-(3-ethylcyclopentyl)-N-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine is CCC1CCC(c2nc3c(s2)C(NC)CCC3)C1.
What is the InChIKey of 2-(3-ethylcyclopentyl)-N-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine?
The InChIKey is WUIWXNWMCPOSRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2S/c1-3-10-7-8-11(9-10)15-17-13-6-4-5-12(16-2)14(13)18-15/h10-12,16H,3-9H2,1-2H3.
What are the key properties of 2-(3-ethylcyclopentyl)-N-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine?
2-(3-ethylcyclopentyl)-N-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine has a molecular weight of 264.44 g/mol, XLogP of 4.03, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethylcyclopentyl)-N-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine is sourced from PubChem (CID 65403634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).