ethyl N-(4-chloro-2-piperidin-1-yl-1,3-benzothiazol-7-yl)carbamate

C15H18ClN3O2S — CID 18916415

IUPACethyl N-(4-chloro-2-piperidin-1-yl-1,3-benzothiazol-7-yl)carbamate
SMILESCCOC(=O)Nc1ccc(Cl)c2nc(N3CCCCC3)sc12
InChIInChI=1S/C15H18ClN3O2S/c1-2-21-15(20)17-11-7-6-10(16)12-13(11)22-14(18-12)19-8-4-3-5-9-19/h6-7H,2-5,8-9H2,1H3,(H,17,20)
InChIKeyXIASDSGENCREDH-UHFFFAOYSA-N
MW339.85 g/mol
LogP4.51
Rot. Bonds3

About ethyl N-(4-chloro-2-piperidin-1-yl-1,3-benzothiazol-7-yl)carbamate

ethyl N-(4-chloro-2-piperidin-1-yl-1,3-benzothiazol-7-yl)carbamate (PubChem CID 18916415) has the molecular formula C15H18ClN3O2S and a molecular weight of 339.85 g/mol. Its IUPAC name is ethyl N-(4-chloro-2-piperidin-1-yl-1,3-benzothiazol-7-yl)carbamate.

Molecular Properties

Compound Nameethyl N-(4-chloro-2-piperidin-1-yl-1,3-benzothiazol-7-yl)carbamate
PubChem CID18916415
Molecular FormulaC15H18ClN3O2S
Molecular Weight339.85 g/mol
Exact Mass339.08
IUPAC Nameethyl N-(4-chloro-2-piperidin-1-yl-1,3-benzothiazol-7-yl)carbamate
SMILESCCOC(=O)Nc1ccc(Cl)c2nc(N3CCCCC3)sc12
InChIInChI=1S/C15H18ClN3O2S/c1-2-21-15(20)17-11-7-6-10(16)12-13(11)22-14(18-12)19-8-4-3-5-9-19/h6-7H,2-5,8-9H2,1H3,(H,17,20)
InChIKeyXIASDSGENCREDH-UHFFFAOYSA-N
XLogP4.51
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.85
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl N-(4-chloro-2-piperidin-1-yl-1,3-benzothiazol-7-yl)carbamate?
The IUPAC name of ethyl N-(4-chloro-2-piperidin-1-yl-1,3-benzothiazol-7-yl)carbamate (CID 18916415) is ethyl N-(4-chloro-2-piperidin-1-yl-1,3-benzothiazol-7-yl)carbamate.
What is the SMILES notation for ethyl N-(4-chloro-2-piperidin-1-yl-1,3-benzothiazol-7-yl)carbamate?
The canonical SMILES for ethyl N-(4-chloro-2-piperidin-1-yl-1,3-benzothiazol-7-yl)carbamate is CCOC(=O)Nc1ccc(Cl)c2nc(N3CCCCC3)sc12.
What is the InChIKey of ethyl N-(4-chloro-2-piperidin-1-yl-1,3-benzothiazol-7-yl)carbamate?
The InChIKey is XIASDSGENCREDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClN3O2S/c1-2-21-15(20)17-11-7-6-10(16)12-13(11)22-14(18-12)19-8-4-3-5-9-19/h6-7H,2-5,8-9H2,1H3,(H,17,20).
What are the key properties of ethyl N-(4-chloro-2-piperidin-1-yl-1,3-benzothiazol-7-yl)carbamate?
ethyl N-(4-chloro-2-piperidin-1-yl-1,3-benzothiazol-7-yl)carbamate has a molecular weight of 339.85 g/mol, XLogP of 4.51, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-(4-chloro-2-piperidin-1-yl-1,3-benzothiazol-7-yl)carbamate is sourced from PubChem (CID 18916415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).