2-(2H-1,3-benzothiazol-3-yl)ethyl carbamate

C10H12N2O2S — CID 90141343

IUPAC2-(2H-1,3-benzothiazol-3-yl)ethyl carbamate
SMILESNC(=O)OCCN1CSc2ccccc21
InChIInChI=1S/C10H12N2O2S/c11-10(13)14-6-5-12-7-15-9-4-2-1-3-8(9)12/h1-4H,5-7H2,(H2,11,13)
InChIKeyUWGJBXWVFLFMJB-UHFFFAOYSA-N
MW224.28 g/mol
LogP1.65
Rot. Bonds3

About 2-(2H-1,3-benzothiazol-3-yl)ethyl carbamate

2-(2H-1,3-benzothiazol-3-yl)ethyl carbamate (PubChem CID 90141343) has the molecular formula C10H12N2O2S and a molecular weight of 224.28 g/mol. Its IUPAC name is 2-(2H-1,3-benzothiazol-3-yl)ethyl carbamate.

Molecular Properties

Compound Name2-(2H-1,3-benzothiazol-3-yl)ethyl carbamate
PubChem CID90141343
Molecular FormulaC10H12N2O2S
Molecular Weight224.28 g/mol
Exact Mass224.06
IUPAC Name2-(2H-1,3-benzothiazol-3-yl)ethyl carbamate
SMILESNC(=O)OCCN1CSc2ccccc21
InChIInChI=1S/C10H12N2O2S/c11-10(13)14-6-5-12-7-15-9-4-2-1-3-8(9)12/h1-4H,5-7H2,(H2,11,13)
InChIKeyUWGJBXWVFLFMJB-UHFFFAOYSA-N
XLogP1.65
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.28
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2H-1,3-benzothiazol-3-yl)ethyl methanesulfonate
CID 150420321
propyl 2-(2H-1,3-benzothiazol-3-yl)acetate
CID 57355084
azane;3-ethyl-2H-1,3-benzothiazole;sulfuric acid
CID 173262176
3-benzyl-2H-1,3-benzothiazole
CID 5080554
3-benzyl-2H-1,3-benzothiazole;hydrobromide
CID 173117012
bis(ethanethioic S-acid);3-methyl-2H-1,3-benzothiazole
CID 88660587
2-[4-[2-(2,3-dihydro-1,4-benzothiazin-4-yl)ethoxy]phenyl]-2-ethoxypropanamide
CID 139909373
2-[(2E)-2-[1-(ethylamino)-1-oxopropan-2-ylidene]-3H-1,4-benzothiazin-4-yl]ethyl 2-methylprop-2-enoate
CID 143310566
methyl 3-[4-[2-(2,3-dihydro-1,4-benzothiazin-4-yl)ethoxy]phenyl]-2-ethoxypropanoate
CID 22593921
[2-[2-(2,3-dihydro-1,4-benzothiazin-4-yl)ethoxy]phenyl] 2-ethoxypropanoate
CID 70038415
N-benzyl-3-[4-[2-(2,3-dihydro-1,4-benzothiazin-4-yl)ethoxy]phenyl]-2-methylpropanamide
CID 20671856
4-[4-[2-(2,3-dihydro-1,4-benzothiazin-4-yl)ethoxy]phenyl]-3-ethoxybutan-2-one
CID 21036293

Frequently Asked Questions

What is the IUPAC name of 2-(2H-1,3-benzothiazol-3-yl)ethyl carbamate?
The IUPAC name of 2-(2H-1,3-benzothiazol-3-yl)ethyl carbamate (CID 90141343) is 2-(2H-1,3-benzothiazol-3-yl)ethyl carbamate.
What is the SMILES notation for 2-(2H-1,3-benzothiazol-3-yl)ethyl carbamate?
The canonical SMILES for 2-(2H-1,3-benzothiazol-3-yl)ethyl carbamate is NC(=O)OCCN1CSc2ccccc21.
What is the InChIKey of 2-(2H-1,3-benzothiazol-3-yl)ethyl carbamate?
The InChIKey is UWGJBXWVFLFMJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O2S/c11-10(13)14-6-5-12-7-15-9-4-2-1-3-8(9)12/h1-4H,5-7H2,(H2,11,13).
What are the key properties of 2-(2H-1,3-benzothiazol-3-yl)ethyl carbamate?
2-(2H-1,3-benzothiazol-3-yl)ethyl carbamate has a molecular weight of 224.28 g/mol, XLogP of 1.65, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2H-1,3-benzothiazol-3-yl)ethyl carbamate is sourced from PubChem (CID 90141343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).