6-phenoxy-N-propyl-1,3-benzothiazol-2-amine

C16H16N2OS — CID 82549639

IUPAC6-phenoxy-N-propyl-1,3-benzothiazol-2-amine
SMILESCCCNc1nc2ccc(Oc3ccccc3)cc2s1
InChIInChI=1S/C16H16N2OS/c1-2-10-17-16-18-14-9-8-13(11-15(14)20-16)19-12-6-4-3-5-7-12/h3-9,11H,2,10H2,1H3,(H,17,18)
InChIKeyXETMGHLNWCRKIE-UHFFFAOYSA-N
MW284.38 g/mol
LogP4.91
Rot. Bonds5

About 6-phenoxy-N-propyl-1,3-benzothiazol-2-amine

6-phenoxy-N-propyl-1,3-benzothiazol-2-amine (PubChem CID 82549639) has the molecular formula C16H16N2OS and a molecular weight of 284.38 g/mol. Its IUPAC name is 6-phenoxy-N-propyl-1,3-benzothiazol-2-amine.

Molecular Properties

Compound Name6-phenoxy-N-propyl-1,3-benzothiazol-2-amine
PubChem CID82549639
Molecular FormulaC16H16N2OS
Molecular Weight284.38 g/mol
Exact Mass284.10
IUPAC Name6-phenoxy-N-propyl-1,3-benzothiazol-2-amine
SMILESCCCNc1nc2ccc(Oc3ccccc3)cc2s1
InChIInChI=1S/C16H16N2OS/c1-2-10-17-16-18-14-9-8-13(11-15(14)20-16)19-12-6-4-3-5-7-12/h3-9,11H,2,10H2,1H3,(H,17,18)
InChIKeyXETMGHLNWCRKIE-UHFFFAOYSA-N
XLogP4.91
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.38
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-ethylsulfanyl-N-propyl-1,3-benzothiazol-2-amine
CID 82548843
N-ethyl-6-propoxy-1,3-benzothiazol-2-amine
CID 82105820
N'-(6-ethoxy-1,3-benzothiazol-2-yl)propane-1,3-diamine
CID 82191696
6-[(E)-2-(aminomethyl)-3-fluoroprop-2-enoxy]-N-propyl-1,3-benzothiazol-2-amine
CID 146453965
6-ethoxy-N-(2-pyridin-3-ylethyl)-1,3-benzothiazol-2-amine
CID 79516074
N-(6-phenoxy-1,3-benzothiazol-2-yl)-3-phenylpropanamide
CID 7948419
4-[(6-propoxy-1,3-benzothiazol-2-yl)amino]butanoic acid
CID 82193021
N-(6-methoxy-1,3-benzothiazol-2-yl)-2-(3-phenoxyphenoxy)acetamide
CID 2347857
N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-phenoxybenzamide
CID 3536818
4-acetamido-N-(6-phenoxy-1,3-benzothiazol-2-yl)benzamide
CID 8749066
6-ethoxy-N-(3-ethoxypropyl)-1,3-benzothiazol-2-amine
CID 79518936
N-(6-phenoxy-1,3-benzothiazol-2-yl)pyridine-4-carboxamide
CID 2090733

Frequently Asked Questions

What is the IUPAC name of 6-phenoxy-N-propyl-1,3-benzothiazol-2-amine?
The IUPAC name of 6-phenoxy-N-propyl-1,3-benzothiazol-2-amine (CID 82549639) is 6-phenoxy-N-propyl-1,3-benzothiazol-2-amine.
What is the SMILES notation for 6-phenoxy-N-propyl-1,3-benzothiazol-2-amine?
The canonical SMILES for 6-phenoxy-N-propyl-1,3-benzothiazol-2-amine is CCCNc1nc2ccc(Oc3ccccc3)cc2s1.
What is the InChIKey of 6-phenoxy-N-propyl-1,3-benzothiazol-2-amine?
The InChIKey is XETMGHLNWCRKIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2OS/c1-2-10-17-16-18-14-9-8-13(11-15(14)20-16)19-12-6-4-3-5-7-12/h3-9,11H,2,10H2,1H3,(H,17,18).
What are the key properties of 6-phenoxy-N-propyl-1,3-benzothiazol-2-amine?
6-phenoxy-N-propyl-1,3-benzothiazol-2-amine has a molecular weight of 284.38 g/mol, XLogP of 4.91, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-phenoxy-N-propyl-1,3-benzothiazol-2-amine is sourced from PubChem (CID 82549639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).