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

C17H18N2OS — CID 103724345

IUPAC1-[5-(1,3-benzothiazol-2-yl)furan-2-yl]-N-[(1-methylcyclopropyl)methyl]methanamine
SMILESCC1(CNCc2ccc(-c3nc4ccccc4s3)o2)CC1
InChIInChI=1S/C17H18N2OS/c1-17(8-9-17)11-18-10-12-6-7-14(20-12)16-19-13-4-2-3-5-15(13)21-16/h2-7,18H,8-11H2,1H3
InChIKeySASSVXVMHFYACC-UHFFFAOYSA-N
MW298.41 g/mol
LogP4.45
Rot. Bonds5

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

1-[5-(1,3-benzothiazol-2-yl)furan-2-yl]-N-[(1-methylcyclopropyl)methyl]methanamine (PubChem CID 103724345) has the molecular formula C17H18N2OS and a molecular weight of 298.41 g/mol. Its IUPAC name is 1-[5-(1,3-benzothiazol-2-yl)furan-2-yl]-N-[(1-methylcyclopropyl)methyl]methanamine.

Molecular Properties

Compound Name1-[5-(1,3-benzothiazol-2-yl)furan-2-yl]-N-[(1-methylcyclopropyl)methyl]methanamine
PubChem CID103724345
Molecular FormulaC17H18N2OS
Molecular Weight298.41 g/mol
Exact Mass298.11
IUPAC Name1-[5-(1,3-benzothiazol-2-yl)furan-2-yl]-N-[(1-methylcyclopropyl)methyl]methanamine
SMILESCC1(CNCc2ccc(-c3nc4ccccc4s3)o2)CC1
InChIInChI=1S/C17H18N2OS/c1-17(8-9-17)11-18-10-12-6-7-14(20-12)16-19-13-4-2-3-5-15(13)21-16/h2-7,18H,8-11H2,1H3
InChIKeySASSVXVMHFYACC-UHFFFAOYSA-N
XLogP4.45
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.41
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[5-(1,3-benzothiazol-2-yl)furan-2-yl]-N-[(1-methylcyclopropyl)methyl]methanamine?
The IUPAC name of 1-[5-(1,3-benzothiazol-2-yl)furan-2-yl]-N-[(1-methylcyclopropyl)methyl]methanamine (CID 103724345) is 1-[5-(1,3-benzothiazol-2-yl)furan-2-yl]-N-[(1-methylcyclopropyl)methyl]methanamine.
What is the SMILES notation for 1-[5-(1,3-benzothiazol-2-yl)furan-2-yl]-N-[(1-methylcyclopropyl)methyl]methanamine?
The canonical SMILES for 1-[5-(1,3-benzothiazol-2-yl)furan-2-yl]-N-[(1-methylcyclopropyl)methyl]methanamine is CC1(CNCc2ccc(-c3nc4ccccc4s3)o2)CC1.
What is the InChIKey of 1-[5-(1,3-benzothiazol-2-yl)furan-2-yl]-N-[(1-methylcyclopropyl)methyl]methanamine?
The InChIKey is SASSVXVMHFYACC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2OS/c1-17(8-9-17)11-18-10-12-6-7-14(20-12)16-19-13-4-2-3-5-15(13)21-16/h2-7,18H,8-11H2,1H3.
What are the key properties of 1-[5-(1,3-benzothiazol-2-yl)furan-2-yl]-N-[(1-methylcyclopropyl)methyl]methanamine?
1-[5-(1,3-benzothiazol-2-yl)furan-2-yl]-N-[(1-methylcyclopropyl)methyl]methanamine has a molecular weight of 298.41 g/mol, XLogP of 4.45, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(1,3-benzothiazol-2-yl)furan-2-yl]-N-[(1-methylcyclopropyl)methyl]methanamine is sourced from PubChem (CID 103724345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).