4,5-bis(2-methoxyethyl)-1,3-benzothiazole-2,6-diamine

C13H19N3O2S — CID 146312895

IUPAC4,5-bis(2-methoxyethyl)-1,3-benzothiazole-2,6-diamine
SMILESCOCCc1c(N)cc2sc(N)nc2c1CCOC
InChIInChI=1S/C13H19N3O2S/c1-17-5-3-8-9(4-6-18-2)12-11(7-10(8)14)19-13(15)16-12/h7H,3-6,14H2,1-2H3,(H2,15,16)
InChIKeyVEAJCBNGHWTCLQ-UHFFFAOYSA-N
MW281.38 g/mol
LogP1.84
Rot. Bonds6

About 4,5-bis(2-methoxyethyl)-1,3-benzothiazole-2,6-diamine

4,5-bis(2-methoxyethyl)-1,3-benzothiazole-2,6-diamine (PubChem CID 146312895) has the molecular formula C13H19N3O2S and a molecular weight of 281.38 g/mol. Its IUPAC name is 4,5-bis(2-methoxyethyl)-1,3-benzothiazole-2,6-diamine.

Molecular Properties

Compound Name4,5-bis(2-methoxyethyl)-1,3-benzothiazole-2,6-diamine
PubChem CID146312895
Molecular FormulaC13H19N3O2S
Molecular Weight281.38 g/mol
Exact Mass281.12
IUPAC Name4,5-bis(2-methoxyethyl)-1,3-benzothiazole-2,6-diamine
SMILESCOCCc1c(N)cc2sc(N)nc2c1CCOC
InChIInChI=1S/C13H19N3O2S/c1-17-5-3-8-9(4-6-18-2)12-11(7-10(8)14)19-13(15)16-12/h7H,3-6,14H2,1-2H3,(H2,15,16)
InChIKeyVEAJCBNGHWTCLQ-UHFFFAOYSA-N
XLogP1.84
TPSA83.39 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.38
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-methoxyethyl 2-amino-1,3-benzothiazole-6-carboxylate
CID 3147262
methyl 2-amino-4-hydroxy-1,3-benzothiazole-6-carboxylate
CID 131616510
4-[(dimethylamino)methyl]-6-methoxy-1,3-benzothiazol-2-amine
CID 134181096
4-methoxy-6-N,6-N-dimethyl-1,3-benzothiazole-2,6-diamine
CID 118371301
propyl 2-amino-6-methoxy-1,3-benzothiazole-4-carboxylate
CID 88610213
2,7-dimethoxy-3-(2-methoxyethyl)quinolin-4-amine
CID 14038245
6-bromo-4-ethyl-1,3-benzothiazol-2-amine
CID 3413695
4-chloro-6-ethyl-1,3-benzothiazol-2-amine
CID 30029861
6-bromo-4-methyl-1,3-benzothiazol-2-amine
CID 17244948
5-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]-4-methyl-1,3-thiazol-2-amine
CID 62793825
ethane;6-ethyl-4-fluoro-1,3-benzothiazol-2-amine
CID 143324079
1-(2-amino-6-methoxy-1,3-benzothiazol-4-yl)butane-1,3-dione
CID 154235812

Frequently Asked Questions

What is the IUPAC name of 4,5-bis(2-methoxyethyl)-1,3-benzothiazole-2,6-diamine?
The IUPAC name of 4,5-bis(2-methoxyethyl)-1,3-benzothiazole-2,6-diamine (CID 146312895) is 4,5-bis(2-methoxyethyl)-1,3-benzothiazole-2,6-diamine.
What is the SMILES notation for 4,5-bis(2-methoxyethyl)-1,3-benzothiazole-2,6-diamine?
The canonical SMILES for 4,5-bis(2-methoxyethyl)-1,3-benzothiazole-2,6-diamine is COCCc1c(N)cc2sc(N)nc2c1CCOC.
What is the InChIKey of 4,5-bis(2-methoxyethyl)-1,3-benzothiazole-2,6-diamine?
The InChIKey is VEAJCBNGHWTCLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2S/c1-17-5-3-8-9(4-6-18-2)12-11(7-10(8)14)19-13(15)16-12/h7H,3-6,14H2,1-2H3,(H2,15,16).
What are the key properties of 4,5-bis(2-methoxyethyl)-1,3-benzothiazole-2,6-diamine?
4,5-bis(2-methoxyethyl)-1,3-benzothiazole-2,6-diamine has a molecular weight of 281.38 g/mol, XLogP of 1.84, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-bis(2-methoxyethyl)-1,3-benzothiazole-2,6-diamine is sourced from PubChem (CID 146312895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).