1-N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-N,2-N-dimethylpropane-1,2-diamine

C14H21N3OS — CID 79518142

IUPAC1-N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-N,2-N-dimethylpropane-1,2-diamine
SMILESCCOc1ccc2nc(NCC(C)N(C)C)sc2c1
InChIInChI=1S/C14H21N3OS/c1-5-18-11-6-7-12-13(8-11)19-14(16-12)15-9-10(2)17(3)4/h6-8,10H,5,9H2,1-4H3,(H,15,16)
InChIKeyZFPZRGKBFYOQTI-UHFFFAOYSA-N
MW279.41 g/mol
LogP3.06
Rot. Bonds6

About 1-N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-N,2-N-dimethylpropane-1,2-diamine

1-N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-N,2-N-dimethylpropane-1,2-diamine (PubChem CID 79518142) has the molecular formula C14H21N3OS and a molecular weight of 279.41 g/mol. Its IUPAC name is 1-N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-N,2-N-dimethylpropane-1,2-diamine.

Molecular Properties

Compound Name1-N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-N,2-N-dimethylpropane-1,2-diamine
PubChem CID79518142
Molecular FormulaC14H21N3OS
Molecular Weight279.41 g/mol
Exact Mass279.14
IUPAC Name1-N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-N,2-N-dimethylpropane-1,2-diamine
SMILESCCOc1ccc2nc(NCC(C)N(C)C)sc2c1
InChIInChI=1S/C14H21N3OS/c1-5-18-11-6-7-12-13(8-11)19-14(16-12)15-9-10(2)17(3)4/h6-8,10H,5,9H2,1-4H3,(H,15,16)
InChIKeyZFPZRGKBFYOQTI-UHFFFAOYSA-N
XLogP3.06
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.41
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-N,2-N-dimethylpropane-1,2-diamine 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

6-ethoxy-N-(3-methyl-2-propan-2-ylbutyl)-1,3-benzothiazol-2-amine
CID 102906844
6-ethoxy-N-(2-methyl-3-methylsulfanylpropyl)-1,3-benzothiazol-2-amine
CID 79518600
N-(6-ethoxy-1,3-benzothiazol-2-yl)-N'-methyl-N'-propan-2-ylpropane-1,3-diamine
CID 106049323
6-ethoxy-N-(5-methylhexan-2-yl)-1,3-benzothiazol-2-amine
CID 79518155
N'-(6-ethoxy-1,3-benzothiazol-2-yl)propane-1,3-diamine
CID 82191696
6-ethoxy-N-(3-ethoxypropyl)-1,3-benzothiazol-2-amine
CID 79518936
6-ethoxy-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,3-benzothiazol-2-amine
CID 79518059
3-chloro-N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-methylpropanamide
CID 62729387
6-ethoxy-N-(oxan-4-ylmethyl)-1,3-benzothiazol-2-amine
CID 79518749
6-ethoxy-N-(1,3-thiazol-5-ylmethyl)-1,3-benzothiazol-2-amine
CID 115924915
N-(6-ethoxy-1,3-benzothiazol-2-yl)-6-ethyl-1,3-benzothiazol-2-amine
CID 108779484
N-cyclopropyl-6-ethoxy-1,3-benzothiazol-2-amine
CID 78908969

Frequently Asked Questions

What is the IUPAC name of 1-N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-N,2-N-dimethylpropane-1,2-diamine?
The IUPAC name of 1-N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-N,2-N-dimethylpropane-1,2-diamine (CID 79518142) is 1-N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-N,2-N-dimethylpropane-1,2-diamine.
What is the SMILES notation for 1-N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-N,2-N-dimethylpropane-1,2-diamine?
The canonical SMILES for 1-N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-N,2-N-dimethylpropane-1,2-diamine is CCOc1ccc2nc(NCC(C)N(C)C)sc2c1.
What is the InChIKey of 1-N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-N,2-N-dimethylpropane-1,2-diamine?
The InChIKey is ZFPZRGKBFYOQTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3OS/c1-5-18-11-6-7-12-13(8-11)19-14(16-12)15-9-10(2)17(3)4/h6-8,10H,5,9H2,1-4H3,(H,15,16).
What are the key properties of 1-N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-N,2-N-dimethylpropane-1,2-diamine?
1-N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-N,2-N-dimethylpropane-1,2-diamine has a molecular weight of 279.41 g/mol, XLogP of 3.06, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-N,2-N-dimethylpropane-1,2-diamine is sourced from PubChem (CID 79518142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).