methyl N-(1,3-benzothiazol-2-yl)-N-methylcarbamate

C10H10N2O2S — CID 653548

IUPACmethyl N-(1,3-benzothiazol-2-yl)-N-methylcarbamate
SMILESCOC(=O)N(C)c1nc2ccccc2s1
InChIInChI=1S/C10H10N2O2S/c1-12(10(13)14-2)9-11-7-5-3-4-6-8(7)15-9/h3-6H,1-2H3
InChIKeyMYAANEHSZDNBBV-UHFFFAOYSA-N
MW222.27 g/mol
LogP2.50
Rot. Bonds1

About methyl N-(1,3-benzothiazol-2-yl)-N-methylcarbamate

methyl N-(1,3-benzothiazol-2-yl)-N-methylcarbamate (PubChem CID 653548) has the molecular formula C10H10N2O2S and a molecular weight of 222.27 g/mol. Its IUPAC name is methyl N-(1,3-benzothiazol-2-yl)-N-methylcarbamate.

Molecular Properties

Compound Namemethyl N-(1,3-benzothiazol-2-yl)-N-methylcarbamate
PubChem CID653548
Molecular FormulaC10H10N2O2S
Molecular Weight222.27 g/mol
Exact Mass222.05
IUPAC Namemethyl N-(1,3-benzothiazol-2-yl)-N-methylcarbamate
SMILESCOC(=O)N(C)c1nc2ccccc2s1
InChIInChI=1S/C10H10N2O2S/c1-12(10(13)14-2)9-11-7-5-3-4-6-8(7)15-9/h3-6H,1-2H3
InChIKeyMYAANEHSZDNBBV-UHFFFAOYSA-N
XLogP2.50
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.27
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl N-(1,3-benzothiazol-2-yl)-N-methylcarbamate?
The IUPAC name of methyl N-(1,3-benzothiazol-2-yl)-N-methylcarbamate (CID 653548) is methyl N-(1,3-benzothiazol-2-yl)-N-methylcarbamate.
What is the SMILES notation for methyl N-(1,3-benzothiazol-2-yl)-N-methylcarbamate?
The canonical SMILES for methyl N-(1,3-benzothiazol-2-yl)-N-methylcarbamate is COC(=O)N(C)c1nc2ccccc2s1.
What is the InChIKey of methyl N-(1,3-benzothiazol-2-yl)-N-methylcarbamate?
The InChIKey is MYAANEHSZDNBBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O2S/c1-12(10(13)14-2)9-11-7-5-3-4-6-8(7)15-9/h3-6H,1-2H3.
What are the key properties of methyl N-(1,3-benzothiazol-2-yl)-N-methylcarbamate?
methyl N-(1,3-benzothiazol-2-yl)-N-methylcarbamate has a molecular weight of 222.27 g/mol, XLogP of 2.50, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-(1,3-benzothiazol-2-yl)-N-methylcarbamate is sourced from PubChem (CID 653548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).