N-ethyl-6-propoxy-1,3-benzothiazol-2-amine

C12H16N2OS — CID 82105820

IUPACN-ethyl-6-propoxy-1,3-benzothiazol-2-amine
SMILESCCCOc1ccc2nc(NCC)sc2c1
InChIInChI=1S/C12H16N2OS/c1-3-7-15-9-5-6-10-11(8-9)16-12(14-10)13-4-2/h5-6,8H,3-4,7H2,1-2H3,(H,13,14)
InChIKeyYDFYNEOBPMWRDH-UHFFFAOYSA-N
MW236.34 g/mol
LogP3.52
Rot. Bonds5

About N-ethyl-6-propoxy-1,3-benzothiazol-2-amine

N-ethyl-6-propoxy-1,3-benzothiazol-2-amine (PubChem CID 82105820) has the molecular formula C12H16N2OS and a molecular weight of 236.34 g/mol. Its IUPAC name is N-ethyl-6-propoxy-1,3-benzothiazol-2-amine.

Molecular Properties

Compound NameN-ethyl-6-propoxy-1,3-benzothiazol-2-amine
PubChem CID82105820
Molecular FormulaC12H16N2OS
Molecular Weight236.34 g/mol
Exact Mass236.10
IUPAC NameN-ethyl-6-propoxy-1,3-benzothiazol-2-amine
SMILESCCCOc1ccc2nc(NCC)sc2c1
InChIInChI=1S/C12H16N2OS/c1-3-7-15-9-5-6-10-11(8-9)16-12(14-10)13-4-2/h5-6,8H,3-4,7H2,1-2H3,(H,13,14)
InChIKeyYDFYNEOBPMWRDH-UHFFFAOYSA-N
XLogP3.52
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.34
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(6-propoxy-1,3-benzothiazol-2-yl)amino]butanoic acid
CID 82193021
2-bromo-6-propoxy-1,3-benzothiazole
CID 97033817
4-methyl-N-(6-propoxy-1,3-benzothiazol-2-yl)benzamide
CID 19213723
6-ethoxy-N-(3-ethoxypropyl)-1,3-benzothiazol-2-amine
CID 79518936
N'-(6-ethoxy-1,3-benzothiazol-2-yl)propane-1,3-diamine
CID 82191696
N-(6-propoxy-1,3-benzothiazol-2-yl)naphthalene-1-carboxamide
CID 19213736
N-(6-propoxy-1,3-benzothiazol-2-yl)furan-2-carboxamide
CID 19213737
6-ethoxy-N-(3-methyl-2-propan-2-ylbutyl)-1,3-benzothiazol-2-amine
CID 102906844
1-N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-N,2-N-dimethylpropane-1,2-diamine
CID 79518142
butyl 2-(ethylamino)-1,3-benzothiazole-6-carboxylate
CID 82549191
2-(2-methylphenoxy)-N-(6-propoxy-1,3-benzothiazol-2-yl)acetamide
CID 19213777
6-butoxy-1,3-benzothiazole-2-carbonitrile
CID 130461689

Frequently Asked Questions

What is the IUPAC name of N-ethyl-6-propoxy-1,3-benzothiazol-2-amine?
The IUPAC name of N-ethyl-6-propoxy-1,3-benzothiazol-2-amine (CID 82105820) is N-ethyl-6-propoxy-1,3-benzothiazol-2-amine.
What is the SMILES notation for N-ethyl-6-propoxy-1,3-benzothiazol-2-amine?
The canonical SMILES for N-ethyl-6-propoxy-1,3-benzothiazol-2-amine is CCCOc1ccc2nc(NCC)sc2c1.
What is the InChIKey of N-ethyl-6-propoxy-1,3-benzothiazol-2-amine?
The InChIKey is YDFYNEOBPMWRDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2OS/c1-3-7-15-9-5-6-10-11(8-9)16-12(14-10)13-4-2/h5-6,8H,3-4,7H2,1-2H3,(H,13,14).
What are the key properties of N-ethyl-6-propoxy-1,3-benzothiazol-2-amine?
N-ethyl-6-propoxy-1,3-benzothiazol-2-amine has a molecular weight of 236.34 g/mol, XLogP of 3.52, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-6-propoxy-1,3-benzothiazol-2-amine is sourced from PubChem (CID 82105820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).