N-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methyl]-1-(1-methylpiperidin-4-yl)methanamine

C19H23N3OS — CID 119122823

IUPACN-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methyl]-1-(1-methylpiperidin-4-yl)methanamine
SMILESCN1CCC(CNCc2ccc(-c3nc4ccccc4s3)o2)CC1
InChIInChI=1S/C19H23N3OS/c1-22-10-8-14(9-11-22)12-20-13-15-6-7-17(23-15)19-21-16-4-2-3-5-18(16)24-19/h2-7,14,20H,8-13H2,1H3
InChIKeyPWVLSFAIBMDYJG-UHFFFAOYSA-N
MW341.48 g/mol
LogP3.99
Rot. Bonds5

About N-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methyl]-1-(1-methylpiperidin-4-yl)methanamine

N-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methyl]-1-(1-methylpiperidin-4-yl)methanamine (PubChem CID 119122823) has the molecular formula C19H23N3OS and a molecular weight of 341.48 g/mol. Its IUPAC name is N-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methyl]-1-(1-methylpiperidin-4-yl)methanamine.

Molecular Properties

Compound NameN-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methyl]-1-(1-methylpiperidin-4-yl)methanamine
PubChem CID119122823
Molecular FormulaC19H23N3OS
Molecular Weight341.48 g/mol
Exact Mass341.16
IUPAC NameN-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methyl]-1-(1-methylpiperidin-4-yl)methanamine
SMILESCN1CCC(CNCc2ccc(-c3nc4ccccc4s3)o2)CC1
InChIInChI=1S/C19H23N3OS/c1-22-10-8-14(9-11-22)12-20-13-15-6-7-17(23-15)19-21-16-4-2-3-5-18(16)24-19/h2-7,14,20H,8-13H2,1H3
InChIKeyPWVLSFAIBMDYJG-UHFFFAOYSA-N
XLogP3.99
TPSA41.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.48
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methyl]-3-(methoxymethyl)-N'-methylpyrrolidine-1-carboximidamide
CID 111735935
1-[5-(1,3-benzothiazol-2-yl)furan-2-yl]-N-[(1-methylcyclopropyl)methyl]methanamine
CID 103724345
N-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methyl]-1-(1,3-dioxolan-4-yl)methanamine
CID 126833729
1-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methylamino]-3-methoxypropan-2-ol
CID 111423035
N-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methyl]acetamide
CID 46456159
N-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methyl]prop-2-en-1-amine
CID 43215838
N-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methyl]-1-propylpyrrolidin-3-amine
CID 146092003
tert-butyl 4-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methylcarbamoyl]piperidine-1-carboxylate
CID 52545787
N-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methyl]-2-methylbutan-1-amine
CID 62693051
2-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methylamino]butan-1-ol
CID 43215803
(2R)-1-[4-[(1,3-benzothiazol-2-ylmethylamino)methyl]piperidin-1-yl]propan-2-ol
CID 95606777
N-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methyl]-1-prop-2-ynylpiperidine-4-carboxamide
CID 55987216

Frequently Asked Questions

What is the IUPAC name of N-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methyl]-1-(1-methylpiperidin-4-yl)methanamine?
The IUPAC name of N-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methyl]-1-(1-methylpiperidin-4-yl)methanamine (CID 119122823) is N-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methyl]-1-(1-methylpiperidin-4-yl)methanamine.
What is the SMILES notation for N-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methyl]-1-(1-methylpiperidin-4-yl)methanamine?
The canonical SMILES for N-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methyl]-1-(1-methylpiperidin-4-yl)methanamine is CN1CCC(CNCc2ccc(-c3nc4ccccc4s3)o2)CC1.
What is the InChIKey of N-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methyl]-1-(1-methylpiperidin-4-yl)methanamine?
The InChIKey is PWVLSFAIBMDYJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3OS/c1-22-10-8-14(9-11-22)12-20-13-15-6-7-17(23-15)19-21-16-4-2-3-5-18(16)24-19/h2-7,14,20H,8-13H2,1H3.
What are the key properties of N-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methyl]-1-(1-methylpiperidin-4-yl)methanamine?
N-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methyl]-1-(1-methylpiperidin-4-yl)methanamine has a molecular weight of 341.48 g/mol, XLogP of 3.99, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methyl]-1-(1-methylpiperidin-4-yl)methanamine is sourced from PubChem (CID 119122823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).