ethyl N-(6-methyl-1,3-benzothiazol-2-yl)carbamate

C11H12N2O2S — CID 731656

IUPACethyl N-(6-methyl-1,3-benzothiazol-2-yl)carbamate
SMILESCCOC(=O)Nc1nc2ccc(C)cc2s1
InChIInChI=1S/C11H12N2O2S/c1-3-15-11(14)13-10-12-8-5-4-7(2)6-9(8)16-10/h4-6H,3H2,1-2H3,(H,12,13,14)
InChIKeyJFPXOLSMNXVSCV-UHFFFAOYSA-N
MW236.30 g/mol
LogP3.17
Rot. Bonds2

About ethyl N-(6-methyl-1,3-benzothiazol-2-yl)carbamate

ethyl N-(6-methyl-1,3-benzothiazol-2-yl)carbamate (PubChem CID 731656) has the molecular formula C11H12N2O2S and a molecular weight of 236.30 g/mol. Its IUPAC name is ethyl N-(6-methyl-1,3-benzothiazol-2-yl)carbamate.

Molecular Properties

Compound Nameethyl N-(6-methyl-1,3-benzothiazol-2-yl)carbamate
PubChem CID731656
Molecular FormulaC11H12N2O2S
Molecular Weight236.30 g/mol
Exact Mass236.06
IUPAC Nameethyl N-(6-methyl-1,3-benzothiazol-2-yl)carbamate
SMILESCCOC(=O)Nc1nc2ccc(C)cc2s1
InChIInChI=1S/C11H12N2O2S/c1-3-15-11(14)13-10-12-8-5-4-7(2)6-9(8)16-10/h4-6H,3H2,1-2H3,(H,12,13,14)
InChIKeyJFPXOLSMNXVSCV-UHFFFAOYSA-N
XLogP3.17
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.30
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-Amino-6-methylbenzothiazole
CID 17335
Benzthiazuron
CID 16007
2-Amino-4-methylbenzothiazole
CID 15132
6-Ethyl-1,3-benzothiazol-2-amine
CID 773093
6-Isopropyl-benzothiazol-2-ylamine
CID 600983
2-Amino-6-(trifluoromethyl)benzothiazole
CID 2735955
ethyl N-(1,3-benzothiazol-2-yl)carbamate
CID 854169
2-Aminobenzothiazole-6-carbonitrile
CID 4327139
N-(4-methylphenyl)-1,3-benzothiazol-2-amine
CID 640711
5-[(6-Methyl-2-benzothiazolyl)amino]-5-oxopentanoic acid
CID 839498
Benzothiazol-2-yl-o-tolyl-amine
CID 2360617
3-(2-Amino-1,3-benzothiazol-6-yl)propanoic acid
CID 1160380

Frequently Asked Questions

What is the IUPAC name of ethyl N-(6-methyl-1,3-benzothiazol-2-yl)carbamate?
The IUPAC name of ethyl N-(6-methyl-1,3-benzothiazol-2-yl)carbamate (CID 731656) is ethyl N-(6-methyl-1,3-benzothiazol-2-yl)carbamate.
What is the SMILES notation for ethyl N-(6-methyl-1,3-benzothiazol-2-yl)carbamate?
The canonical SMILES for ethyl N-(6-methyl-1,3-benzothiazol-2-yl)carbamate is CCOC(=O)Nc1nc2ccc(C)cc2s1.
What is the InChIKey of ethyl N-(6-methyl-1,3-benzothiazol-2-yl)carbamate?
The InChIKey is JFPXOLSMNXVSCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O2S/c1-3-15-11(14)13-10-12-8-5-4-7(2)6-9(8)16-10/h4-6H,3H2,1-2H3,(H,12,13,14).
What are the key properties of ethyl N-(6-methyl-1,3-benzothiazol-2-yl)carbamate?
ethyl N-(6-methyl-1,3-benzothiazol-2-yl)carbamate has a molecular weight of 236.30 g/mol, XLogP of 3.17, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-(6-methyl-1,3-benzothiazol-2-yl)carbamate is sourced from PubChem (CID 731656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).