4-methoxy-6-N,6-N-dimethyl-1,3-benzothiazole-2,6-diamine

C10H13N3OS — CID 118371301

IUPAC4-methoxy-6-N,6-N-dimethyl-1,3-benzothiazole-2,6-diamine
SMILESCOc1cc(N(C)C)cc2sc(N)nc12
InChIInChI=1S/C10H13N3OS/c1-13(2)6-4-7(14-3)9-8(5-6)15-10(11)12-9/h4-5H,1-3H3,(H2,11,12)
InChIKeyLJRQNAYXDLTCFI-UHFFFAOYSA-N
MW223.30 g/mol
LogP1.95
Rot. Bonds2

About 4-methoxy-6-N,6-N-dimethyl-1,3-benzothiazole-2,6-diamine

4-methoxy-6-N,6-N-dimethyl-1,3-benzothiazole-2,6-diamine (PubChem CID 118371301) has the molecular formula C10H13N3OS and a molecular weight of 223.30 g/mol. Its IUPAC name is 4-methoxy-6-N,6-N-dimethyl-1,3-benzothiazole-2,6-diamine.

Molecular Properties

Compound Name4-methoxy-6-N,6-N-dimethyl-1,3-benzothiazole-2,6-diamine
PubChem CID118371301
Molecular FormulaC10H13N3OS
Molecular Weight223.30 g/mol
Exact Mass223.08
IUPAC Name4-methoxy-6-N,6-N-dimethyl-1,3-benzothiazole-2,6-diamine
SMILESCOc1cc(N(C)C)cc2sc(N)nc12
InChIInChI=1S/C10H13N3OS/c1-13(2)6-4-7(14-3)9-8(5-6)15-10(11)12-9/h4-5H,1-3H3,(H2,11,12)
InChIKeyLJRQNAYXDLTCFI-UHFFFAOYSA-N
XLogP1.95
TPSA51.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.30
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(dimethylamino)methyl]-6-methoxy-1,3-benzothiazol-2-amine
CID 134181096
6-N,6-N-dimethyl-1,3-benzothiazole-2,6-diamine
CID 17244961
5-chloro-7-methoxy-[1,3]thiazolo[5,4-b]pyridin-2-amine
CID 142582350
N-(2-amino-4-methoxy-1,3-benzothiazol-6-yl)-2-cyanoacetamide
CID 168522593
N-[(4,6-dimethoxy-1,3-benzothiazol-2-yl)sulfanyl]-N,2-dimethylpropan-2-amine
CID 87296582
5-methoxy-1-N,1-N,4-trimethylbenzene-1,3-diamine
CID 69381099
N-(2-amino-4-methoxy-1,3-benzothiazol-6-yl)thiophene-2-carboxamide
CID 91680626
N-(2-amino-4-methoxy-1,3-benzothiazol-6-yl)-3,4-dichlorobenzamide
CID 91680564
(4,6-dimethoxy-1,3-benzothiazol-2-yl)hydrazine
CID 5228893
5-methoxy-[1,3]thiazolo[5,4-e][1,3]benzothiazole-2,7-diamine
CID 15180051
N-(2-amino-4-methoxy-1,3-benzothiazol-6-yl)-4-phenylbenzamide
CID 91680458
4,6-dimethoxy-1,3-benzothiazole-2-carboxamide
CID 131858263

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-6-N,6-N-dimethyl-1,3-benzothiazole-2,6-diamine?
The IUPAC name of 4-methoxy-6-N,6-N-dimethyl-1,3-benzothiazole-2,6-diamine (CID 118371301) is 4-methoxy-6-N,6-N-dimethyl-1,3-benzothiazole-2,6-diamine.
What is the SMILES notation for 4-methoxy-6-N,6-N-dimethyl-1,3-benzothiazole-2,6-diamine?
The canonical SMILES for 4-methoxy-6-N,6-N-dimethyl-1,3-benzothiazole-2,6-diamine is COc1cc(N(C)C)cc2sc(N)nc12.
What is the InChIKey of 4-methoxy-6-N,6-N-dimethyl-1,3-benzothiazole-2,6-diamine?
The InChIKey is LJRQNAYXDLTCFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3OS/c1-13(2)6-4-7(14-3)9-8(5-6)15-10(11)12-9/h4-5H,1-3H3,(H2,11,12).
What are the key properties of 4-methoxy-6-N,6-N-dimethyl-1,3-benzothiazole-2,6-diamine?
4-methoxy-6-N,6-N-dimethyl-1,3-benzothiazole-2,6-diamine has a molecular weight of 223.30 g/mol, XLogP of 1.95, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-6-N,6-N-dimethyl-1,3-benzothiazole-2,6-diamine is sourced from PubChem (CID 118371301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).