[4-(1,3-benzothiazol-2-ylmethoxy)phenyl] N-methylcarbamate

C16H14N2O3S — CID 22442661

IUPAC[4-(1,3-benzothiazol-2-ylmethoxy)phenyl] N-methylcarbamate
SMILESCNC(=O)Oc1ccc(OCc2nc3ccccc3s2)cc1
InChIInChI=1S/C16H14N2O3S/c1-17-16(19)21-12-8-6-11(7-9-12)20-10-15-18-13-4-2-3-5-14(13)22-15/h2-9H,10H2,1H3,(H,17,19)
InChIKeyUBQVINQDHWCHKH-UHFFFAOYSA-N
MW314.37 g/mol
LogP3.59
Rot. Bonds4

About [4-(1,3-benzothiazol-2-ylmethoxy)phenyl] N-methylcarbamate

[4-(1,3-benzothiazol-2-ylmethoxy)phenyl] N-methylcarbamate (PubChem CID 22442661) has the molecular formula C16H14N2O3S and a molecular weight of 314.37 g/mol. Its IUPAC name is [4-(1,3-benzothiazol-2-ylmethoxy)phenyl] N-methylcarbamate.

Molecular Properties

Compound Name[4-(1,3-benzothiazol-2-ylmethoxy)phenyl] N-methylcarbamate
PubChem CID22442661
Molecular FormulaC16H14N2O3S
Molecular Weight314.37 g/mol
Exact Mass314.07
IUPAC Name[4-(1,3-benzothiazol-2-ylmethoxy)phenyl] N-methylcarbamate
SMILESCNC(=O)Oc1ccc(OCc2nc3ccccc3s2)cc1
InChIInChI=1S/C16H14N2O3S/c1-17-16(19)21-12-8-6-11(7-9-12)20-10-15-18-13-4-2-3-5-14(13)22-15/h2-9H,10H2,1H3,(H,17,19)
InChIKeyUBQVINQDHWCHKH-UHFFFAOYSA-N
XLogP3.59
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.37
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[4-(1,3-benzothiazol-2-ylmethoxy)phenyl]methyl]ethanamine
CID 104630931
dimethyl 5-(1,3-benzothiazol-2-ylmethoxy)benzene-1,3-dicarboxylate
CID 7643399
[4-(1,3-benzothiazol-2-ylmethoxy)phenyl]hydrazine
CID 139801727
2-[[4-(2-methylpropoxy)phenoxy]methyl]-1,3-benzothiazole
CID 72705954
2-[4-[4-(1,3-benzothiazol-2-ylmethoxy)phenyl]phenyl]propanoic acid
CID 18956577
N-[3-(1,3-benzothiazol-2-ylmethoxy)phenyl]acetamide
CID 7698043
N-[4-(1,3-benzothiazol-2-ylmethoxy)-2-ethylphenyl]acetamide
CID 18932135
2-[[4-(1,3-thiazol-4-yl)phenoxy]methyl]-1,3-benzothiazole
CID 139801893
1-[4-(1,3-benzothiazol-2-ylmethoxy)phenyl]ethanamine
CID 104630917
2-(1,3-benzothiazol-2-ylmethoxy)-N'-[2-(4-phenylmethoxyphenoxy)acetyl]acetohydrazide
CID 24538886
2-[[4-(6-methyl-2-pyridinyl)phenoxy]methyl]-1,3-benzothiazole
CID 139801734
2-(1,3-benzothiazol-2-ylmethoxy)-N'-[2-(4-ethylphenoxy)acetyl]acetohydrazide
CID 9324359

Frequently Asked Questions

What is the IUPAC name of [4-(1,3-benzothiazol-2-ylmethoxy)phenyl] N-methylcarbamate?
The IUPAC name of [4-(1,3-benzothiazol-2-ylmethoxy)phenyl] N-methylcarbamate (CID 22442661) is [4-(1,3-benzothiazol-2-ylmethoxy)phenyl] N-methylcarbamate.
What is the SMILES notation for [4-(1,3-benzothiazol-2-ylmethoxy)phenyl] N-methylcarbamate?
The canonical SMILES for [4-(1,3-benzothiazol-2-ylmethoxy)phenyl] N-methylcarbamate is CNC(=O)Oc1ccc(OCc2nc3ccccc3s2)cc1.
What is the InChIKey of [4-(1,3-benzothiazol-2-ylmethoxy)phenyl] N-methylcarbamate?
The InChIKey is UBQVINQDHWCHKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O3S/c1-17-16(19)21-12-8-6-11(7-9-12)20-10-15-18-13-4-2-3-5-14(13)22-15/h2-9H,10H2,1H3,(H,17,19).
What are the key properties of [4-(1,3-benzothiazol-2-ylmethoxy)phenyl] N-methylcarbamate?
[4-(1,3-benzothiazol-2-ylmethoxy)phenyl] N-methylcarbamate has a molecular weight of 314.37 g/mol, XLogP of 3.59, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(1,3-benzothiazol-2-ylmethoxy)phenyl] N-methylcarbamate is sourced from PubChem (CID 22442661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).