[4-(1,3-benzothiazol-2-ylmethoxy)-3-methoxyphenyl] N,N-dimethylcarbamate

C18H18N2O4S — CID 139798289

IUPAC[4-(1,3-benzothiazol-2-ylmethoxy)-3-methoxyphenyl] N,N-dimethylcarbamate
SMILESCOc1cc(OC(=O)N(C)C)ccc1OCc1nc2ccccc2s1
InChIInChI=1S/C18H18N2O4S/c1-20(2)18(21)24-12-8-9-14(15(10-12)22-3)23-11-17-19-13-6-4-5-7-16(13)25-17/h4-10H,11H2,1-3H3
InChIKeySSVBHOZLSRPHME-UHFFFAOYSA-N
MW358.42 g/mol
LogP3.94
Rot. Bonds5

About [4-(1,3-benzothiazol-2-ylmethoxy)-3-methoxyphenyl] N,N-dimethylcarbamate

[4-(1,3-benzothiazol-2-ylmethoxy)-3-methoxyphenyl] N,N-dimethylcarbamate (PubChem CID 139798289) has the molecular formula C18H18N2O4S and a molecular weight of 358.42 g/mol. Its IUPAC name is [4-(1,3-benzothiazol-2-ylmethoxy)-3-methoxyphenyl] N,N-dimethylcarbamate.

Molecular Properties

Compound Name[4-(1,3-benzothiazol-2-ylmethoxy)-3-methoxyphenyl] N,N-dimethylcarbamate
PubChem CID139798289
Molecular FormulaC18H18N2O4S
Molecular Weight358.42 g/mol
Exact Mass358.10
IUPAC Name[4-(1,3-benzothiazol-2-ylmethoxy)-3-methoxyphenyl] N,N-dimethylcarbamate
SMILESCOc1cc(OC(=O)N(C)C)ccc1OCc1nc2ccccc2s1
InChIInChI=1S/C18H18N2O4S/c1-20(2)18(21)24-12-8-9-14(15(10-12)22-3)23-11-17-19-13-6-4-5-7-16(13)25-17/h4-10H,11H2,1-3H3
InChIKeySSVBHOZLSRPHME-UHFFFAOYSA-N
XLogP3.94
TPSA60.89 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.42
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[4-(1,3-benzothiazol-2-ylmethoxy)-3-chlorophenyl] N,N-dimethylcarbamate
CID 139798301
methyl N-[4-(1,3-benzothiazol-2-ylmethoxy)-3-methoxybenzoyl]-N-(2-methylphenyl)carbamate
CID 67656109
[2-(1,3-benzothiazol-2-ylmethoxy)-4-methoxyphenyl]methanol
CID 104631288
1,3-benzothiazol-2-ylmethyl 4-ethoxy-3-methoxybenzoate
CID 2500972
N-(1,3-benzothiazol-2-ylmethyl)-3,4-dimethoxy-N-methylbenzamide
CID 9372481
2-(1,3-benzothiazol-2-ylmethoxy)-5-methylbenzoic acid
CID 60652782
dimethyl 5-(1,3-benzothiazol-2-ylmethoxy)benzene-1,3-dicarboxylate
CID 7643399
[4-(1,3-benzothiazol-2-ylmethoxy)phenyl] N-methylcarbamate
CID 22442661
1-[2-(1,3-benzothiazol-2-ylmethoxy)-4-bromophenyl]ethanone
CID 103750338
1,3-benzothiazol-2-ylmethyl (E)-3-(2,5-dimethoxyphenyl)prop-2-enoate
CID 7949438
1,3-benzothiazol-2-ylmethyl 4-methoxybenzoate
CID 722271
N-[2-(1,3-benzothiazol-2-ylmethoxy)phenyl]acetamide
CID 7506157

Frequently Asked Questions

What is the IUPAC name of [4-(1,3-benzothiazol-2-ylmethoxy)-3-methoxyphenyl] N,N-dimethylcarbamate?
The IUPAC name of [4-(1,3-benzothiazol-2-ylmethoxy)-3-methoxyphenyl] N,N-dimethylcarbamate (CID 139798289) is [4-(1,3-benzothiazol-2-ylmethoxy)-3-methoxyphenyl] N,N-dimethylcarbamate.
What is the SMILES notation for [4-(1,3-benzothiazol-2-ylmethoxy)-3-methoxyphenyl] N,N-dimethylcarbamate?
The canonical SMILES for [4-(1,3-benzothiazol-2-ylmethoxy)-3-methoxyphenyl] N,N-dimethylcarbamate is COc1cc(OC(=O)N(C)C)ccc1OCc1nc2ccccc2s1.
What is the InChIKey of [4-(1,3-benzothiazol-2-ylmethoxy)-3-methoxyphenyl] N,N-dimethylcarbamate?
The InChIKey is SSVBHOZLSRPHME-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O4S/c1-20(2)18(21)24-12-8-9-14(15(10-12)22-3)23-11-17-19-13-6-4-5-7-16(13)25-17/h4-10H,11H2,1-3H3.
What are the key properties of [4-(1,3-benzothiazol-2-ylmethoxy)-3-methoxyphenyl] N,N-dimethylcarbamate?
[4-(1,3-benzothiazol-2-ylmethoxy)-3-methoxyphenyl] N,N-dimethylcarbamate has a molecular weight of 358.42 g/mol, XLogP of 3.94, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(1,3-benzothiazol-2-ylmethoxy)-3-methoxyphenyl] N,N-dimethylcarbamate is sourced from PubChem (CID 139798289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).