6-methoxy-N-[(1-methylcyclopentyl)methyl]-1,3-benzothiazol-2-amine

C15H20N2OS — CID 79519042

IUPAC6-methoxy-N-[(1-methylcyclopentyl)methyl]-1,3-benzothiazol-2-amine
SMILESCOc1ccc2nc(NCC3(C)CCCC3)sc2c1
InChIInChI=1S/C15H20N2OS/c1-15(7-3-4-8-15)10-16-14-17-12-6-5-11(18-2)9-13(12)19-14/h5-6,9H,3-4,7-8,10H2,1-2H3,(H,16,17)
InChIKeyUKFHSLKLLXRLDR-UHFFFAOYSA-N
MW276.40 g/mol
LogP4.30
Rot. Bonds4

About 6-methoxy-N-[(1-methylcyclopentyl)methyl]-1,3-benzothiazol-2-amine

6-methoxy-N-[(1-methylcyclopentyl)methyl]-1,3-benzothiazol-2-amine (PubChem CID 79519042) has the molecular formula C15H20N2OS and a molecular weight of 276.40 g/mol. Its IUPAC name is 6-methoxy-N-[(1-methylcyclopentyl)methyl]-1,3-benzothiazol-2-amine.

Molecular Properties

Compound Name6-methoxy-N-[(1-methylcyclopentyl)methyl]-1,3-benzothiazol-2-amine
PubChem CID79519042
Molecular FormulaC15H20N2OS
Molecular Weight276.40 g/mol
Exact Mass276.13
IUPAC Name6-methoxy-N-[(1-methylcyclopentyl)methyl]-1,3-benzothiazol-2-amine
SMILESCOc1ccc2nc(NCC3(C)CCCC3)sc2c1
InChIInChI=1S/C15H20N2OS/c1-15(7-3-4-8-15)10-16-14-17-12-6-5-11(18-2)9-13(12)19-14/h5-6,9H,3-4,7-8,10H2,1-2H3,(H,16,17)
InChIKeyUKFHSLKLLXRLDR-UHFFFAOYSA-N
XLogP4.30
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.40
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-methoxy-N-[(1-methylsulfanylcyclopropyl)methyl]-1,3-benzothiazol-2-amine
CID 114117297
N-(2-cyclopentylethyl)-6-methoxy-1,3-benzothiazol-2-amine
CID 79519168
6-methoxy-N-propan-2-yl-1,3-benzothiazol-2-amine
CID 78908950
N-(6-methoxy-1,3-benzothiazol-2-yl)-2-methylpiperidine-2-carboxamide
CID 104596064
7-methoxy-N-[(1-methylcyclopentyl)methyl]isoquinolin-1-amine
CID 106538593
methyl 3-[(6-methoxy-1,3-benzothiazol-2-yl)amino]propanoate
CID 79518052
6-methoxy-N-[2-(oxolan-2-yl)ethyl]-1,3-benzothiazol-2-amine
CID 79518210
6-methoxy-N-[(1-methylpyrrolidin-2-yl)methyl]-1,3-benzothiazol-2-amine
CID 106027416
N-cyclopropyl-6-methoxy-1,3-benzothiazol-2-amine
CID 78908963
N-cycloheptyl-6-methoxy-1,3-benzothiazol-2-amine
CID 78908893
6-methoxy-N-(3-methylsulfonylpropyl)-1,3-benzothiazol-2-amine
CID 79518809
N-(6-methoxy-1,3-benzothiazol-2-yl)-N'-methyl-N'-propan-2-ylpropane-1,3-diamine
CID 106049325

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-N-[(1-methylcyclopentyl)methyl]-1,3-benzothiazol-2-amine?
The IUPAC name of 6-methoxy-N-[(1-methylcyclopentyl)methyl]-1,3-benzothiazol-2-amine (CID 79519042) is 6-methoxy-N-[(1-methylcyclopentyl)methyl]-1,3-benzothiazol-2-amine.
What is the SMILES notation for 6-methoxy-N-[(1-methylcyclopentyl)methyl]-1,3-benzothiazol-2-amine?
The canonical SMILES for 6-methoxy-N-[(1-methylcyclopentyl)methyl]-1,3-benzothiazol-2-amine is COc1ccc2nc(NCC3(C)CCCC3)sc2c1.
What is the InChIKey of 6-methoxy-N-[(1-methylcyclopentyl)methyl]-1,3-benzothiazol-2-amine?
The InChIKey is UKFHSLKLLXRLDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2OS/c1-15(7-3-4-8-15)10-16-14-17-12-6-5-11(18-2)9-13(12)19-14/h5-6,9H,3-4,7-8,10H2,1-2H3,(H,16,17).
What are the key properties of 6-methoxy-N-[(1-methylcyclopentyl)methyl]-1,3-benzothiazol-2-amine?
6-methoxy-N-[(1-methylcyclopentyl)methyl]-1,3-benzothiazol-2-amine has a molecular weight of 276.40 g/mol, XLogP of 4.30, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-N-[(1-methylcyclopentyl)methyl]-1,3-benzothiazol-2-amine is sourced from PubChem (CID 79519042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).