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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Related Compounds

N-(tert-butyl)-4-(6-chlorobenzo[d]thiazol-2-yl)piperazine-1-carboxamide
CID 2746600
(6-Chloro-benzothiazol-2-YL)-carbamic acid ethyl ester
CID 4171089
Ethyl 4-chloro-1,3-benzothiazol-2-ylcarbamate
CID 676688
Ethyl 4-(2-((4-chlorobenzo[d]thiazol-2-yl)(methyl)amino)acetyl)piperazine-1-carboxylate
CID 71790386
3-(4-Chloro-2-piperidin-1-yl-1,3-benzothiazol-7-yl)-1-methyl-6-(trifluoromethyl)pyrimidine-2,4-dione
CID 18916399
3-(4-chloro-6-fluoro-2-piperidin-1-yl-1,3-benzothiazol-7-yl)-6-(trifluoromethyl)-1H-pyrimidine-2,4-dione
CID 18916413
3-(4-chloro-2-piperidin-1-yl-1,3-benzothiazol-7-yl)-6-(trifluoromethyl)-1H-pyrimidine-2,4-dione
CID 18916430
ethyl N-[2-(1-piperidinyl)-4-chloro-6-fluorobenzothiazol-7-yl]carbamate
CID 18916436
4-chloro-2-N-ethyl-6-fluoro-2-N-methyl-1,3-benzothiazole-2,7-diamine
CID 53668021
2-N-butyl-4-chloro-6-fluoro-2-N-methyl-1,3-benzothiazole-2,7-diamine
CID 53738228
3-[2-[butyl(methyl)amino]-4-chloro-6-fluoro-1,3-benzothiazol-7-yl]-6-(trifluoromethyl)-1H-pyrimidine-2,4-dione
CID 53939846
4-chloro-6-fluoro-2-N-methyl-2-N-propyl-1,3-benzothiazole-2,7-diamine
CID 54196381

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).