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

C16H16N2O3S — CID 126833729

IUPACN-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methyl]-1-(1,3-dioxolan-4-yl)methanamine
SMILESc1ccc2sc(-c3ccc(CNCC4COCO4)o3)nc2c1
InChIInChI=1S/C16H16N2O3S/c1-2-4-15-13(3-1)18-16(22-15)14-6-5-11(21-14)7-17-8-12-9-19-10-20-12/h1-6,12,17H,7-10H2
InChIKeyFTBMBKUZMHESSB-UHFFFAOYSA-N
MW316.38 g/mol
LogP3.02
Rot. Bonds5

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

N-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methyl]-1-(1,3-dioxolan-4-yl)methanamine (PubChem CID 126833729) has the molecular formula C16H16N2O3S and a molecular weight of 316.38 g/mol. Its IUPAC name is N-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methyl]-1-(1,3-dioxolan-4-yl)methanamine.

Molecular Properties

Compound NameN-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methyl]-1-(1,3-dioxolan-4-yl)methanamine
PubChem CID126833729
Molecular FormulaC16H16N2O3S
Molecular Weight316.38 g/mol
Exact Mass316.09
IUPAC NameN-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methyl]-1-(1,3-dioxolan-4-yl)methanamine
SMILESc1ccc2sc(-c3ccc(CNCC4COCO4)o3)nc2c1
InChIInChI=1S/C16H16N2O3S/c1-2-4-15-13(3-1)18-16(22-15)14-6-5-11(21-14)7-17-8-12-9-19-10-20-12/h1-6,12,17H,7-10H2
InChIKeyFTBMBKUZMHESSB-UHFFFAOYSA-N
XLogP3.02
TPSA56.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.38
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methyl]-1-(1,3-dioxolan-4-yl)methanamine with MolForge

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Related Compounds

N-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methyl]-1-(1-methylpiperidin-4-yl)methanamine
CID 119122823
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]prop-2-en-1-amine
CID 43215838
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]-1,3-benzothiazole
CID 854969
N-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methyl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)ethanamine
CID 119125348
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]-1,3,4-thiadiazol-2-amine
CID 103933793
1-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methylamino]-3-methoxypropan-2-ol
CID 111423035
2-[5-(1,3-benzothiazol-2-yl)furan-2-yl]ethanamine
CID 170888031
1-amino-N-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methyl]cyclohexane-1-carboxamide
CID 119275805
2-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methylamino]butan-1-ol
CID 43215803

Frequently Asked Questions

What is the IUPAC name of N-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methyl]-1-(1,3-dioxolan-4-yl)methanamine?
The IUPAC name of N-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methyl]-1-(1,3-dioxolan-4-yl)methanamine (CID 126833729) is N-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methyl]-1-(1,3-dioxolan-4-yl)methanamine.
What is the SMILES notation for N-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methyl]-1-(1,3-dioxolan-4-yl)methanamine?
The canonical SMILES for N-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methyl]-1-(1,3-dioxolan-4-yl)methanamine is c1ccc2sc(-c3ccc(CNCC4COCO4)o3)nc2c1.
What is the InChIKey of N-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methyl]-1-(1,3-dioxolan-4-yl)methanamine?
The InChIKey is FTBMBKUZMHESSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O3S/c1-2-4-15-13(3-1)18-16(22-15)14-6-5-11(21-14)7-17-8-12-9-19-10-20-12/h1-6,12,17H,7-10H2.
What are the key properties of N-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methyl]-1-(1,3-dioxolan-4-yl)methanamine?
N-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methyl]-1-(1,3-dioxolan-4-yl)methanamine has a molecular weight of 316.38 g/mol, XLogP of 3.02, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methyl]-1-(1,3-dioxolan-4-yl)methanamine is sourced from PubChem (CID 126833729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).