4-[4-(1,3-benzothiazol-2-yloxy)phenyl]-N-methylbutan-2-amine

C18H20N2OS — CID 154645733

IUPAC4-[4-(1,3-benzothiazol-2-yloxy)phenyl]-N-methylbutan-2-amine
SMILESCNC(C)CCc1ccc(Oc2nc3ccccc3s2)cc1
InChIInChI=1S/C18H20N2OS/c1-13(19-2)7-8-14-9-11-15(12-10-14)21-18-20-16-5-3-4-6-17(16)22-18/h3-6,9-13,19H,7-8H2,1-2H3
InChIKeyRZQNFHZLZUXIKB-UHFFFAOYSA-N
MW312.44 g/mol
LogP4.63
Rot. Bonds6

About 4-[4-(1,3-benzothiazol-2-yloxy)phenyl]-N-methylbutan-2-amine

4-[4-(1,3-benzothiazol-2-yloxy)phenyl]-N-methylbutan-2-amine (PubChem CID 154645733) has the molecular formula C18H20N2OS and a molecular weight of 312.44 g/mol. Its IUPAC name is 4-[4-(1,3-benzothiazol-2-yloxy)phenyl]-N-methylbutan-2-amine.

Molecular Properties

Compound Name4-[4-(1,3-benzothiazol-2-yloxy)phenyl]-N-methylbutan-2-amine
PubChem CID154645733
Molecular FormulaC18H20N2OS
Molecular Weight312.44 g/mol
Exact Mass312.13
IUPAC Name4-[4-(1,3-benzothiazol-2-yloxy)phenyl]-N-methylbutan-2-amine
SMILESCNC(C)CCc1ccc(Oc2nc3ccccc3s2)cc1
InChIInChI=1S/C18H20N2OS/c1-13(19-2)7-8-14-9-11-15(12-10-14)21-18-20-16-5-3-4-6-17(16)22-18/h3-6,9-13,19H,7-8H2,1-2H3
InChIKeyRZQNFHZLZUXIKB-UHFFFAOYSA-N
XLogP4.63
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.44
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-[4-(1,3-benzothiazol-2-yloxy)phenyl]-N-methylbutan-2-amine with MolForge

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

Launch Full Analysis

Related Compounds

1-[4-(1,3-benzothiazol-2-yloxy)phenyl]-N-methylmethanamine
CID 69154883
2-[4-[2-(azepan-1-yl)ethyl]phenoxy]-1,3-benzothiazole
CID 11451021
1-[2-[4-(1,3-benzothiazol-2-yloxy)phenyl]ethyl]-N-propylcyclopropan-1-amine
CID 69261713
2-(4-chlorophenoxy)-1,3-benzothiazole
CID 11837172
methyl 3-[2-[4-(1,3-benzothiazol-2-yloxy)phenyl]ethyl-(2-cyclopropylethyl)amino]-2-methylpropanoate
CID 91500209
methyl 3-[4-(1,3-benzothiazol-2-yloxy)phenoxy]propanoate
CID 57116230
2-[4-[2-[4-[(4-methylpiperazin-1-yl)methyl]piperidin-1-yl]ethyl]phenoxy]-1,3-benzothiazole
CID 91111020
2-[4-[(4-methylsulfinylpiperazin-1-yl)methyl]phenoxy]-1,3-benzothiazole
CID 142996899
2-[4-(1-piperazin-1-ylethoxy)phenoxy]-1,3-benzothiazole
CID 91560748
1-[[4-(1,3-benzothiazol-2-yloxy)phenyl]methyl]piperidin-4-amine
CID 11279222
2-[4-[2-[3-(2-methyltetrazol-5-yl)piperidin-1-yl]ethyl]phenoxy]-1,3-benzothiazole
CID 59989110
3-[2-[4-(1,3-benzothiazol-2-yloxy)phenyl]ethyl-(2-cyclopropylethyl)amino]propan-1-ol
CID 91370123

Frequently Asked Questions

What is the IUPAC name of 4-[4-(1,3-benzothiazol-2-yloxy)phenyl]-N-methylbutan-2-amine?
The IUPAC name of 4-[4-(1,3-benzothiazol-2-yloxy)phenyl]-N-methylbutan-2-amine (CID 154645733) is 4-[4-(1,3-benzothiazol-2-yloxy)phenyl]-N-methylbutan-2-amine.
What is the SMILES notation for 4-[4-(1,3-benzothiazol-2-yloxy)phenyl]-N-methylbutan-2-amine?
The canonical SMILES for 4-[4-(1,3-benzothiazol-2-yloxy)phenyl]-N-methylbutan-2-amine is CNC(C)CCc1ccc(Oc2nc3ccccc3s2)cc1.
What is the InChIKey of 4-[4-(1,3-benzothiazol-2-yloxy)phenyl]-N-methylbutan-2-amine?
The InChIKey is RZQNFHZLZUXIKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2OS/c1-13(19-2)7-8-14-9-11-15(12-10-14)21-18-20-16-5-3-4-6-17(16)22-18/h3-6,9-13,19H,7-8H2,1-2H3.
What are the key properties of 4-[4-(1,3-benzothiazol-2-yloxy)phenyl]-N-methylbutan-2-amine?
4-[4-(1,3-benzothiazol-2-yloxy)phenyl]-N-methylbutan-2-amine has a molecular weight of 312.44 g/mol, XLogP of 4.63, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(1,3-benzothiazol-2-yloxy)phenyl]-N-methylbutan-2-amine is sourced from PubChem (CID 154645733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).