2-cyclopentyl-N-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine

C13H20N2S — CID 64975636

IUPAC2-cyclopentyl-N-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine
SMILESCNC1CCCc2sc(C3CCCC3)nc21
InChIInChI=1S/C13H20N2S/c1-14-10-7-4-8-11-12(10)15-13(16-11)9-5-2-3-6-9/h9-10,14H,2-8H2,1H3
InChIKeyMVFNKLZGNLLMGQ-UHFFFAOYSA-N
MW236.38 g/mol
LogP3.40
Rot. Bonds2

About 2-cyclopentyl-N-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine

2-cyclopentyl-N-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine (PubChem CID 64975636) has the molecular formula C13H20N2S and a molecular weight of 236.38 g/mol. Its IUPAC name is 2-cyclopentyl-N-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine.

Molecular Properties

Compound Name2-cyclopentyl-N-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine
PubChem CID64975636
Molecular FormulaC13H20N2S
Molecular Weight236.38 g/mol
Exact Mass236.13
IUPAC Name2-cyclopentyl-N-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine
SMILESCNC1CCCc2sc(C3CCCC3)nc21
InChIInChI=1S/C13H20N2S/c1-14-10-7-4-8-11-12(10)15-13(16-11)9-5-2-3-6-9/h9-10,14H,2-8H2,1H3
InChIKeyMVFNKLZGNLLMGQ-UHFFFAOYSA-N
XLogP3.40
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.38
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-cyclooctyl-N-propyl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine
CID 80609684
2-cyclobutyl-N-propyl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine
CID 64984578
N-methyl-2-propan-2-yl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine
CID 64975639
2-cyclooctyl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine
CID 80610124
2-cyclobutyl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine
CID 64984478
N-methyl-2-(4-propan-2-ylpiperidin-1-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine
CID 103503605
2-(4-fluorophenyl)-N-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine
CID 64975528
4-[4-(methylamino)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]piperazine-2,6-dione
CID 66060841
2-(4-tert-butylpiperidin-1-yl)-N-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine
CID 64977286
N-methyl-2-(2,4,6-trifluorophenyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine
CID 107920897
N-methyl-2-(1H-1,2,4-triazol-5-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine
CID 64975493
2-(2,5-dimethylthiophen-3-yl)-N-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine
CID 64976025

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-N-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine?
The IUPAC name of 2-cyclopentyl-N-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine (CID 64975636) is 2-cyclopentyl-N-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine.
What is the SMILES notation for 2-cyclopentyl-N-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine?
The canonical SMILES for 2-cyclopentyl-N-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine is CNC1CCCc2sc(C3CCCC3)nc21.
What is the InChIKey of 2-cyclopentyl-N-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine?
The InChIKey is MVFNKLZGNLLMGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2S/c1-14-10-7-4-8-11-12(10)15-13(16-11)9-5-2-3-6-9/h9-10,14H,2-8H2,1H3.
What are the key properties of 2-cyclopentyl-N-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine?
2-cyclopentyl-N-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine has a molecular weight of 236.38 g/mol, XLogP of 3.40, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-N-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine is sourced from PubChem (CID 64975636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).