N-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methyl]-1-propylpyrrolidin-3-amine

C19H23N3OS — CID 146092003

IUPACN-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methyl]-1-propylpyrrolidin-3-amine
SMILESCCCN1CCC(NCc2ccc(-c3nc4ccccc4s3)o2)C1
InChIInChI=1S/C19H23N3OS/c1-2-10-22-11-9-14(13-22)20-12-15-7-8-17(23-15)19-21-16-5-3-4-6-18(16)24-19/h3-8,14,20H,2,9-13H2,1H3
InChIKeyVPFAYRSFESZZJZ-UHFFFAOYSA-N
MW341.48 g/mol
LogP4.13
Rot. Bonds6

About N-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methyl]-1-propylpyrrolidin-3-amine

N-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methyl]-1-propylpyrrolidin-3-amine (PubChem CID 146092003) 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-propylpyrrolidin-3-amine.

Molecular Properties

Compound NameN-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methyl]-1-propylpyrrolidin-3-amine
PubChem CID146092003
Molecular FormulaC19H23N3OS
Molecular Weight341.48 g/mol
Exact Mass341.16
IUPAC NameN-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methyl]-1-propylpyrrolidin-3-amine
SMILESCCCN1CCC(NCc2ccc(-c3nc4ccccc4s3)o2)C1
InChIInChI=1S/C19H23N3OS/c1-2-10-22-11-9-14(13-22)20-12-15-7-8-17(23-15)19-21-16-5-3-4-6-18(16)24-19/h3-8,14,20H,2,9-13H2,1H3
InChIKeyVPFAYRSFESZZJZ-UHFFFAOYSA-N
XLogP4.13
TPSA41.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.48
LogP ≤ 54.13
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]-2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine
CID 119127535
N-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methyl]-1-(1-methylpiperidin-4-yl)methanamine
CID 119122823
N-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methyl]-4-[2-oxo-2-(propylamino)ethyl]piperazine-1-carboxamide
CID 24612699
N-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methyl]-1-prop-2-ynylpiperidine-4-carboxamide
CID 55987216
2-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methylamino]hexanoic acid
CID 120510258
1-[5-(1,3-benzothiazol-2-yl)furan-2-yl]-N-[(1-methylcyclopropyl)methyl]methanamine
CID 103724345
[5-(1,3-benzothiazol-2-yl)furan-2-yl]-(4-propylpiperazin-1-yl)methanone
CID 4803580
N-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methyl]acetamide
CID 46456159
N-(1,3-benzothiazol-2-ylmethyl)-1-ethylpiperidin-4-amine
CID 28665108
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
N-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methyl]-3-(methoxymethyl)-N'-methylpyrrolidine-1-carboximidamide
CID 111735935

Frequently Asked Questions

What is the IUPAC name of N-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methyl]-1-propylpyrrolidin-3-amine?
The IUPAC name of N-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methyl]-1-propylpyrrolidin-3-amine (CID 146092003) is N-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methyl]-1-propylpyrrolidin-3-amine.
What is the SMILES notation for N-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methyl]-1-propylpyrrolidin-3-amine?
The canonical SMILES for N-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methyl]-1-propylpyrrolidin-3-amine is CCCN1CCC(NCc2ccc(-c3nc4ccccc4s3)o2)C1.
What is the InChIKey of N-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methyl]-1-propylpyrrolidin-3-amine?
The InChIKey is VPFAYRSFESZZJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3OS/c1-2-10-22-11-9-14(13-22)20-12-15-7-8-17(23-15)19-21-16-5-3-4-6-18(16)24-19/h3-8,14,20H,2,9-13H2,1H3.
What are the key properties of N-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methyl]-1-propylpyrrolidin-3-amine?
N-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methyl]-1-propylpyrrolidin-3-amine has a molecular weight of 341.48 g/mol, XLogP of 4.13, 6 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-propylpyrrolidin-3-amine is sourced from PubChem (CID 146092003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).