[1-[(6-methoxy-1,3-benzothiazol-2-yl)methyl]pyrrolidin-2-yl]methanamine

C14H19N3OS — CID 120841920

IUPAC[1-[(6-methoxy-1,3-benzothiazol-2-yl)methyl]pyrrolidin-2-yl]methanamine
SMILESCOc1ccc2nc(CN3CCCC3CN)sc2c1
InChIInChI=1S/C14H19N3OS/c1-18-11-4-5-12-13(7-11)19-14(16-12)9-17-6-2-3-10(17)8-15/h4-5,7,10H,2-3,6,8-9,15H2,1H3
InChIKeyUDMXLYDNHKNPQS-UHFFFAOYSA-N
MW277.39 g/mol
LogP2.23
Rot. Bonds4

About [1-[(6-methoxy-1,3-benzothiazol-2-yl)methyl]pyrrolidin-2-yl]methanamine

[1-[(6-methoxy-1,3-benzothiazol-2-yl)methyl]pyrrolidin-2-yl]methanamine (PubChem CID 120841920) has the molecular formula C14H19N3OS and a molecular weight of 277.39 g/mol. Its IUPAC name is [1-[(6-methoxy-1,3-benzothiazol-2-yl)methyl]pyrrolidin-2-yl]methanamine.

Molecular Properties

Compound Name[1-[(6-methoxy-1,3-benzothiazol-2-yl)methyl]pyrrolidin-2-yl]methanamine
PubChem CID120841920
Molecular FormulaC14H19N3OS
Molecular Weight277.39 g/mol
Exact Mass277.12
IUPAC Name[1-[(6-methoxy-1,3-benzothiazol-2-yl)methyl]pyrrolidin-2-yl]methanamine
SMILESCOc1ccc2nc(CN3CCCC3CN)sc2c1
InChIInChI=1S/C14H19N3OS/c1-18-11-4-5-12-13(7-11)19-14(16-12)9-17-6-2-3-10(17)8-15/h4-5,7,10H,2-3,6,8-9,15H2,1H3
InChIKeyUDMXLYDNHKNPQS-UHFFFAOYSA-N
XLogP2.23
TPSA51.38 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 ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3R)-1-[(6-methoxy-1,3-benzothiazol-2-yl)methyl]piperidin-3-amine
CID 120845980
1-[(6-methoxy-1,3-benzothiazol-2-yl)methyl]piperidin-4-amine;hydrochloride
CID 120834481
6-methoxy-2-[[(3S)-3-methoxypiperidin-1-yl]methyl]-1,3-benzothiazole
CID 164640107
2-(6-methoxy-1,3-benzothiazol-2-yl)ethanamine
CID 39106649
1-[1-(1,3-benzothiazol-2-ylmethyl)pyrrolidin-2-yl]propan-2-ol
CID 115758778
6-methoxy-2-(pyrrolidin-2-ylmethyl)-1,3-benzothiazole
CID 79511727
6-methoxy-2-[(4-pyrrolidin-2-ylpiperidin-1-yl)methyl]-1,3-benzothiazole;hydrochloride
CID 120834995
6-methoxy-2-[(3-piperazin-1-ylpyrrolidin-1-yl)methyl]-1,3-benzothiazole;hydrochloride
CID 120968147
6-methoxy-N-[(1-methylpyrrolidin-2-yl)methyl]-1,3-benzothiazol-2-amine
CID 106027416
6-methoxy-2-(2-piperidin-2-ylethyl)-1,3-benzothiazole
CID 79511835
2-[(6-methoxy-1,3-benzothiazol-2-yl)methoxy]ethanamine
CID 79512407
1-(1,3-benzothiazol-2-ylmethyl)-N-(4-methoxyphenyl)pyrrolidine-2-carboxamide
CID 47055497

Frequently Asked Questions

What is the IUPAC name of [1-[(6-methoxy-1,3-benzothiazol-2-yl)methyl]pyrrolidin-2-yl]methanamine?
The IUPAC name of [1-[(6-methoxy-1,3-benzothiazol-2-yl)methyl]pyrrolidin-2-yl]methanamine (CID 120841920) is [1-[(6-methoxy-1,3-benzothiazol-2-yl)methyl]pyrrolidin-2-yl]methanamine.
What is the SMILES notation for [1-[(6-methoxy-1,3-benzothiazol-2-yl)methyl]pyrrolidin-2-yl]methanamine?
The canonical SMILES for [1-[(6-methoxy-1,3-benzothiazol-2-yl)methyl]pyrrolidin-2-yl]methanamine is COc1ccc2nc(CN3CCCC3CN)sc2c1.
What is the InChIKey of [1-[(6-methoxy-1,3-benzothiazol-2-yl)methyl]pyrrolidin-2-yl]methanamine?
The InChIKey is UDMXLYDNHKNPQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3OS/c1-18-11-4-5-12-13(7-11)19-14(16-12)9-17-6-2-3-10(17)8-15/h4-5,7,10H,2-3,6,8-9,15H2,1H3.
What are the key properties of [1-[(6-methoxy-1,3-benzothiazol-2-yl)methyl]pyrrolidin-2-yl]methanamine?
[1-[(6-methoxy-1,3-benzothiazol-2-yl)methyl]pyrrolidin-2-yl]methanamine has a molecular weight of 277.39 g/mol, XLogP of 2.23, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(6-methoxy-1,3-benzothiazol-2-yl)methyl]pyrrolidin-2-yl]methanamine is sourced from PubChem (CID 120841920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).