methyl N-[4-(1,3-benzothiazol-2-ylmethoxy)-2,3,5-trimethylphenyl]carbamate

C19H20N2O3S — CID 18932215

IUPACmethyl N-[4-(1,3-benzothiazol-2-ylmethoxy)-2,3,5-trimethylphenyl]carbamate
SMILESCOC(=O)Nc1cc(C)c(OCc2nc3ccccc3s2)c(C)c1C
InChIInChI=1S/C19H20N2O3S/c1-11-9-15(21-19(22)23-4)12(2)13(3)18(11)24-10-17-20-14-7-5-6-8-16(14)25-17/h5-9H,10H2,1-4H3,(H,21,22)
InChIKeyXZARHMUCOGQGJO-UHFFFAOYSA-N
MW356.45 g/mol
LogP4.98
Rot. Bonds4

About methyl N-[4-(1,3-benzothiazol-2-ylmethoxy)-2,3,5-trimethylphenyl]carbamate

methyl N-[4-(1,3-benzothiazol-2-ylmethoxy)-2,3,5-trimethylphenyl]carbamate (PubChem CID 18932215) has the molecular formula C19H20N2O3S and a molecular weight of 356.45 g/mol. Its IUPAC name is methyl N-[4-(1,3-benzothiazol-2-ylmethoxy)-2,3,5-trimethylphenyl]carbamate.

Molecular Properties

Compound Namemethyl N-[4-(1,3-benzothiazol-2-ylmethoxy)-2,3,5-trimethylphenyl]carbamate
PubChem CID18932215
Molecular FormulaC19H20N2O3S
Molecular Weight356.45 g/mol
Exact Mass356.12
IUPAC Namemethyl N-[4-(1,3-benzothiazol-2-ylmethoxy)-2,3,5-trimethylphenyl]carbamate
SMILESCOC(=O)Nc1cc(C)c(OCc2nc3ccccc3s2)c(C)c1C
InChIInChI=1S/C19H20N2O3S/c1-11-9-15(21-19(22)23-4)12(2)13(3)18(11)24-10-17-20-14-7-5-6-8-16(14)25-17/h5-9H,10H2,1-4H3,(H,21,22)
InChIKeyXZARHMUCOGQGJO-UHFFFAOYSA-N
XLogP4.98
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.45
LogP ≤ 54.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl N-[4-(1,3-benzothiazol-2-ylmethoxy)-2,3,6-trimethylphenyl]carbamate
CID 18932051
4-(1,3-benzothiazol-2-ylmethoxy)-3,5-dimethylbenzonitrile
CID 115649817
N-[2-(1,3-benzothiazol-2-ylmethoxy)phenyl]acetamide
CID 7506157
2-(1,3-benzothiazol-2-ylmethoxy)-5-methylbenzoic acid
CID 60652782
dimethyl 5-(1,3-benzothiazol-2-ylmethoxy)benzene-1,3-dicarboxylate
CID 7643399
N-[3-(1,3-benzothiazol-2-ylmethoxy)phenyl]acetamide
CID 7698043
N-[4-(1,3-benzothiazol-2-ylmethoxy)-2-ethylphenyl]acetamide
CID 18932135
2-(1,3-benzothiazol-2-ylmethoxy)-3-methylaniline
CID 104630915
[4-(1,3-benzothiazol-2-ylmethoxy)phenyl] N-methylcarbamate
CID 22442661
1,3-benzothiazol-2-ylmethyl N-(4-methylphenyl)carbamate
CID 2121682
methyl N-[4-(1,3-benzothiazol-2-ylmethoxy)-2-methylphenyl]-N-butanoylcarbamate
CID 18932322
N'-[2-(1,3-benzothiazol-2-ylmethoxy)acetyl]-2-(2,4-dimethylanilino)acetohydrazide
CID 9273392

Frequently Asked Questions

What is the IUPAC name of methyl N-[4-(1,3-benzothiazol-2-ylmethoxy)-2,3,5-trimethylphenyl]carbamate?
The IUPAC name of methyl N-[4-(1,3-benzothiazol-2-ylmethoxy)-2,3,5-trimethylphenyl]carbamate (CID 18932215) is methyl N-[4-(1,3-benzothiazol-2-ylmethoxy)-2,3,5-trimethylphenyl]carbamate.
What is the SMILES notation for methyl N-[4-(1,3-benzothiazol-2-ylmethoxy)-2,3,5-trimethylphenyl]carbamate?
The canonical SMILES for methyl N-[4-(1,3-benzothiazol-2-ylmethoxy)-2,3,5-trimethylphenyl]carbamate is COC(=O)Nc1cc(C)c(OCc2nc3ccccc3s2)c(C)c1C.
What is the InChIKey of methyl N-[4-(1,3-benzothiazol-2-ylmethoxy)-2,3,5-trimethylphenyl]carbamate?
The InChIKey is XZARHMUCOGQGJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O3S/c1-11-9-15(21-19(22)23-4)12(2)13(3)18(11)24-10-17-20-14-7-5-6-8-16(14)25-17/h5-9H,10H2,1-4H3,(H,21,22).
What are the key properties of methyl N-[4-(1,3-benzothiazol-2-ylmethoxy)-2,3,5-trimethylphenyl]carbamate?
methyl N-[4-(1,3-benzothiazol-2-ylmethoxy)-2,3,5-trimethylphenyl]carbamate has a molecular weight of 356.45 g/mol, XLogP of 4.98, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[4-(1,3-benzothiazol-2-ylmethoxy)-2,3,5-trimethylphenyl]carbamate is sourced from PubChem (CID 18932215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).