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

C14H19N3OS — CID 106027416

IUPAC6-methoxy-N-[(1-methylpyrrolidin-2-yl)methyl]-1,3-benzothiazol-2-amine
SMILESCOc1ccc2nc(NCC3CCCN3C)sc2c1
InChIInChI=1S/C14H19N3OS/c1-17-7-3-4-10(17)9-15-14-16-12-6-5-11(18-2)8-13(12)19-14/h5-6,8,10H,3-4,7,9H2,1-2H3,(H,15,16)
InChIKeyXJBGTGJWRRQLBP-UHFFFAOYSA-N
MW277.39 g/mol
LogP2.81
Rot. Bonds4

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

6-methoxy-N-[(1-methylpyrrolidin-2-yl)methyl]-1,3-benzothiazol-2-amine (PubChem CID 106027416) has the molecular formula C14H19N3OS and a molecular weight of 277.39 g/mol. Its IUPAC name is 6-methoxy-N-[(1-methylpyrrolidin-2-yl)methyl]-1,3-benzothiazol-2-amine.

Molecular Properties

Compound Name6-methoxy-N-[(1-methylpyrrolidin-2-yl)methyl]-1,3-benzothiazol-2-amine
PubChem CID106027416
Molecular FormulaC14H19N3OS
Molecular Weight277.39 g/mol
Exact Mass277.12
IUPAC Name6-methoxy-N-[(1-methylpyrrolidin-2-yl)methyl]-1,3-benzothiazol-2-amine
SMILESCOc1ccc2nc(NCC3CCCN3C)sc2c1
InChIInChI=1S/C14H19N3OS/c1-17-7-3-4-10(17)9-15-14-16-12-6-5-11(18-2)8-13(12)19-14/h5-6,8,10H,3-4,7,9H2,1-2H3,(H,15,16)
InChIKeyXJBGTGJWRRQLBP-UHFFFAOYSA-N
XLogP2.81
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.39
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-fluoro-N-[(1-methylpyrrolidin-2-yl)methyl]-1,3-benzothiazol-2-amine
CID 114138547
N-(2-cyclopentylethyl)-6-methoxy-1,3-benzothiazol-2-amine
CID 79519168
N-cyclopropyl-6-methoxy-1,3-benzothiazol-2-amine
CID 78908963
N-cycloheptyl-6-methoxy-1,3-benzothiazol-2-amine
CID 78908893
N-[(1-ethylpyrrolidin-2-yl)methyl]-6-methyl-1,3-benzothiazol-2-amine
CID 79142582
6-methoxy-N-[2-(oxolan-2-yl)ethyl]-1,3-benzothiazol-2-amine
CID 79518210
6-methoxy-N-[(1-methylcyclopentyl)methyl]-1,3-benzothiazol-2-amine
CID 79519042
N-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-3-ylmethyl)-6-methoxy-1,3-benzothiazol-2-amine
CID 162380148
[1-[(6-methoxy-1,3-benzothiazol-2-yl)methyl]pyrrolidin-2-yl]methanamine
CID 120841920
6-methoxy-N-propan-2-yl-1,3-benzothiazol-2-amine
CID 78908950
6-methoxy-N-(2-methylcyclohexyl)-1,3-benzothiazol-2-amine
CID 71628391
6-methyl-N-[(1-methylpiperidin-3-yl)methyl]-1,3-benzothiazol-2-amine
CID 79142087

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-N-[(1-methylpyrrolidin-2-yl)methyl]-1,3-benzothiazol-2-amine?
The IUPAC name of 6-methoxy-N-[(1-methylpyrrolidin-2-yl)methyl]-1,3-benzothiazol-2-amine (CID 106027416) is 6-methoxy-N-[(1-methylpyrrolidin-2-yl)methyl]-1,3-benzothiazol-2-amine.
What is the SMILES notation for 6-methoxy-N-[(1-methylpyrrolidin-2-yl)methyl]-1,3-benzothiazol-2-amine?
The canonical SMILES for 6-methoxy-N-[(1-methylpyrrolidin-2-yl)methyl]-1,3-benzothiazol-2-amine is COc1ccc2nc(NCC3CCCN3C)sc2c1.
What is the InChIKey of 6-methoxy-N-[(1-methylpyrrolidin-2-yl)methyl]-1,3-benzothiazol-2-amine?
The InChIKey is XJBGTGJWRRQLBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3OS/c1-17-7-3-4-10(17)9-15-14-16-12-6-5-11(18-2)8-13(12)19-14/h5-6,8,10H,3-4,7,9H2,1-2H3,(H,15,16).
What are the key properties of 6-methoxy-N-[(1-methylpyrrolidin-2-yl)methyl]-1,3-benzothiazol-2-amine?
6-methoxy-N-[(1-methylpyrrolidin-2-yl)methyl]-1,3-benzothiazol-2-amine has a molecular weight of 277.39 g/mol, XLogP of 2.81, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-N-[(1-methylpyrrolidin-2-yl)methyl]-1,3-benzothiazol-2-amine is sourced from PubChem (CID 106027416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).