6-methyl-N-[(2,3,4-trimethoxyphenyl)methyl]-1,3-benzothiazol-2-amine

C18H20N2O3S — CID 2994477

IUPAC6-methyl-N-[(2,3,4-trimethoxyphenyl)methyl]-1,3-benzothiazol-2-amine
SMILESCOc1ccc(CNc2nc3ccc(C)cc3s2)c(OC)c1OC
InChIInChI=1S/C18H20N2O3S/c1-11-5-7-13-15(9-11)24-18(20-13)19-10-12-6-8-14(21-2)17(23-4)16(12)22-3/h5-9H,10H2,1-4H3,(H,19,20)
InChIKeyNKOQVIPWGRFBHI-UHFFFAOYSA-N
MW344.44 g/mol
LogP4.24
Rot. Bonds6

About 6-methyl-N-[(2,3,4-trimethoxyphenyl)methyl]-1,3-benzothiazol-2-amine

6-methyl-N-[(2,3,4-trimethoxyphenyl)methyl]-1,3-benzothiazol-2-amine (PubChem CID 2994477) has the molecular formula C18H20N2O3S and a molecular weight of 344.44 g/mol. Its IUPAC name is 6-methyl-N-[(2,3,4-trimethoxyphenyl)methyl]-1,3-benzothiazol-2-amine.

Molecular Properties

Compound Name6-methyl-N-[(2,3,4-trimethoxyphenyl)methyl]-1,3-benzothiazol-2-amine
PubChem CID2994477
Molecular FormulaC18H20N2O3S
Molecular Weight344.44 g/mol
Exact Mass344.12
IUPAC Name6-methyl-N-[(2,3,4-trimethoxyphenyl)methyl]-1,3-benzothiazol-2-amine
SMILESCOc1ccc(CNc2nc3ccc(C)cc3s2)c(OC)c1OC
InChIInChI=1S/C18H20N2O3S/c1-11-5-7-13-15(9-11)24-18(20-13)19-10-12-6-8-14(21-2)17(23-4)16(12)22-3/h5-9H,10H2,1-4H3,(H,19,20)
InChIKeyNKOQVIPWGRFBHI-UHFFFAOYSA-N
XLogP4.24
TPSA52.61 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.44
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

Benzothiazol-2-yl-(3,4-dimethoxy-benzyl)-amine
CID 956331
5-(4-ethoxyphenyl)-N-methyl-4-(3,4,5-trimethoxyphenyl)-1,3-thiazol-2-amine
CID 71461486
1-Ethyl-3-(6-(2-methoxyphenyl)benzo[d]thiazol-2-yl)urea
CID 71655597
N-cyclohexyl-4-(3,4,5-trimethoxyphenyl)-1,3-thiazol-2-amine
CID 4791502
Benzothiazol-2-yl-(3,4,5-trimethoxy-benzyl)-amine
CID 6489811
2-(2,4,5-Trimethoxyphenyl)-1,3-benzothiazole
CID 1087077
(E)-N-(6-(N,N-dimethylsulfamoyl)benzo[d]thiazol-2-yl)-3-(3,4,5-trimethoxyphenyl)acrylamide
CID 1188153
2-(2, 3, 4-Trimethoxyphenyl)-5-fluorobenzothiazole
CID 11616710
N-(1-(3-ethoxy-4-methoxybenzyl)piperidin-4-yl)benzo[d]thiazol-2-amine
CID 24740748
N-(6-trifluoromethoxybenzothiazole-2-yl)-2-(3,4,5-trimethoxyphenyl)acetamide
CID 27899321
N1-(1,3-benzothiazol-2-yl)-2-{2-methoxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)-1-ethenyl]phenoxy}acetamide
CID 60143342
N-[6-(trifluoromethyl)-1,3-benzothiazol-2-yl]-2-(3,4,5-trimethoxyphenyl)acetamide
CID 76853170

Frequently Asked Questions

What is the IUPAC name of 6-methyl-N-[(2,3,4-trimethoxyphenyl)methyl]-1,3-benzothiazol-2-amine?
The IUPAC name of 6-methyl-N-[(2,3,4-trimethoxyphenyl)methyl]-1,3-benzothiazol-2-amine (CID 2994477) is 6-methyl-N-[(2,3,4-trimethoxyphenyl)methyl]-1,3-benzothiazol-2-amine.
What is the SMILES notation for 6-methyl-N-[(2,3,4-trimethoxyphenyl)methyl]-1,3-benzothiazol-2-amine?
The canonical SMILES for 6-methyl-N-[(2,3,4-trimethoxyphenyl)methyl]-1,3-benzothiazol-2-amine is COc1ccc(CNc2nc3ccc(C)cc3s2)c(OC)c1OC.
What is the InChIKey of 6-methyl-N-[(2,3,4-trimethoxyphenyl)methyl]-1,3-benzothiazol-2-amine?
The InChIKey is NKOQVIPWGRFBHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O3S/c1-11-5-7-13-15(9-11)24-18(20-13)19-10-12-6-8-14(21-2)17(23-4)16(12)22-3/h5-9H,10H2,1-4H3,(H,19,20).
What are the key properties of 6-methyl-N-[(2,3,4-trimethoxyphenyl)methyl]-1,3-benzothiazol-2-amine?
6-methyl-N-[(2,3,4-trimethoxyphenyl)methyl]-1,3-benzothiazol-2-amine has a molecular weight of 344.44 g/mol, XLogP of 4.24, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-N-[(2,3,4-trimethoxyphenyl)methyl]-1,3-benzothiazol-2-amine is sourced from PubChem (CID 2994477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).