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

C10H10N2O2S — CID 854169

IUPACethyl N-(1,3-benzothiazol-2-yl)carbamate
SMILESCCOC(=O)Nc1nc2ccccc2s1
InChIInChI=1S/C10H10N2O2S/c1-2-14-10(13)12-9-11-7-5-3-4-6-8(7)15-9/h3-6H,2H2,1H3,(H,11,12,13)
InChIKeyVBEIBBOLUSEKTP-UHFFFAOYSA-N
MW222.27 g/mol
LogP2.86
Rot. Bonds2

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

ethyl N-(1,3-benzothiazol-2-yl)carbamate (PubChem CID 854169) has the molecular formula C10H10N2O2S and a molecular weight of 222.27 g/mol. Its IUPAC name is ethyl N-(1,3-benzothiazol-2-yl)carbamate.

Molecular Properties

Compound Nameethyl N-(1,3-benzothiazol-2-yl)carbamate
PubChem CID854169
Molecular FormulaC10H10N2O2S
Molecular Weight222.27 g/mol
Exact Mass222.05
IUPAC Nameethyl N-(1,3-benzothiazol-2-yl)carbamate
SMILESCCOC(=O)Nc1nc2ccccc2s1
InChIInChI=1S/C10H10N2O2S/c1-2-14-10(13)12-9-11-7-5-3-4-6-8(7)15-9/h3-6H,2H2,1H3,(H,11,12,13)
InChIKeyVBEIBBOLUSEKTP-UHFFFAOYSA-N
XLogP2.86
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.27
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Benzo(d)thiazol-2-amine
CID 8706
Methabenzthiazuron
CID 29216
Benzthiazuron
CID 16007
N-(6-Nitro-2-benzothiazolyl)acetamide
CID 731719
2-Amino-6-fluorobenzothiazole
CID 319954
N-(4-fluorophenyl)-1,3-benzothiazol-2-amine
CID 2360905
2-Guanidinobenzothiazole
CID 17415
N-Methylbenzothiazol-2-amine
CID 28160
Anilinobenzothiazole
CID 230981
Bentaluron
CID 4408229
N-(2-amino-1,3-benzothiazol-6-yl)acetamide
CID 231904
1-(1,3-Benzothiazol-2-yl)-3-phenylurea
CID 726342

Frequently Asked Questions

What is the IUPAC name of ethyl N-(1,3-benzothiazol-2-yl)carbamate?
The IUPAC name of ethyl N-(1,3-benzothiazol-2-yl)carbamate (CID 854169) is ethyl N-(1,3-benzothiazol-2-yl)carbamate.
What is the SMILES notation for ethyl N-(1,3-benzothiazol-2-yl)carbamate?
The canonical SMILES for ethyl N-(1,3-benzothiazol-2-yl)carbamate is CCOC(=O)Nc1nc2ccccc2s1.
What is the InChIKey of ethyl N-(1,3-benzothiazol-2-yl)carbamate?
The InChIKey is VBEIBBOLUSEKTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O2S/c1-2-14-10(13)12-9-11-7-5-3-4-6-8(7)15-9/h3-6H,2H2,1H3,(H,11,12,13).
What are the key properties of ethyl N-(1,3-benzothiazol-2-yl)carbamate?
ethyl N-(1,3-benzothiazol-2-yl)carbamate has a molecular weight of 222.27 g/mol, XLogP of 2.86, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-(1,3-benzothiazol-2-yl)carbamate is sourced from PubChem (CID 854169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).