N-[(2-propan-2-yl-1,3-benzothiazol-6-yl)methyl]cyclopentanamine

C16H22N2S — CID 166557540

IUPACN-[(2-propan-2-yl-1,3-benzothiazol-6-yl)methyl]cyclopentanamine
SMILESCC(C)c1nc2ccc(CNC3CCCC3)cc2s1
InChIInChI=1S/C16H22N2S/c1-11(2)16-18-14-8-7-12(9-15(14)19-16)10-17-13-5-3-4-6-13/h7-9,11,13,17H,3-6,10H2,1-2H3
InChIKeyHMPLCLKNELPIFG-UHFFFAOYSA-N
MW274.43 g/mol
LogP4.45
Rot. Bonds4

About N-[(2-propan-2-yl-1,3-benzothiazol-6-yl)methyl]cyclopentanamine

N-[(2-propan-2-yl-1,3-benzothiazol-6-yl)methyl]cyclopentanamine (PubChem CID 166557540) has the molecular formula C16H22N2S and a molecular weight of 274.43 g/mol. Its IUPAC name is N-[(2-propan-2-yl-1,3-benzothiazol-6-yl)methyl]cyclopentanamine.

Molecular Properties

Compound NameN-[(2-propan-2-yl-1,3-benzothiazol-6-yl)methyl]cyclopentanamine
PubChem CID166557540
Molecular FormulaC16H22N2S
Molecular Weight274.43 g/mol
Exact Mass274.15
IUPAC NameN-[(2-propan-2-yl-1,3-benzothiazol-6-yl)methyl]cyclopentanamine
SMILESCC(C)c1nc2ccc(CNC3CCCC3)cc2s1
InChIInChI=1S/C16H22N2S/c1-11(2)16-18-14-8-7-12(9-15(14)19-16)10-17-13-5-3-4-6-13/h7-9,11,13,17H,3-6,10H2,1-2H3
InChIKeyHMPLCLKNELPIFG-UHFFFAOYSA-N
XLogP4.45
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.43
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(2-propan-2-yl-1,3-benzothiazol-6-yl)methyl]cyclopentanamine?
The IUPAC name of N-[(2-propan-2-yl-1,3-benzothiazol-6-yl)methyl]cyclopentanamine (CID 166557540) is N-[(2-propan-2-yl-1,3-benzothiazol-6-yl)methyl]cyclopentanamine.
What is the SMILES notation for N-[(2-propan-2-yl-1,3-benzothiazol-6-yl)methyl]cyclopentanamine?
The canonical SMILES for N-[(2-propan-2-yl-1,3-benzothiazol-6-yl)methyl]cyclopentanamine is CC(C)c1nc2ccc(CNC3CCCC3)cc2s1.
What is the InChIKey of N-[(2-propan-2-yl-1,3-benzothiazol-6-yl)methyl]cyclopentanamine?
The InChIKey is HMPLCLKNELPIFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2S/c1-11(2)16-18-14-8-7-12(9-15(14)19-16)10-17-13-5-3-4-6-13/h7-9,11,13,17H,3-6,10H2,1-2H3.
What are the key properties of N-[(2-propan-2-yl-1,3-benzothiazol-6-yl)methyl]cyclopentanamine?
N-[(2-propan-2-yl-1,3-benzothiazol-6-yl)methyl]cyclopentanamine has a molecular weight of 274.43 g/mol, XLogP of 4.45, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-propan-2-yl-1,3-benzothiazol-6-yl)methyl]cyclopentanamine is sourced from PubChem (CID 166557540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).