2-chloro-5-(2-ethylpiperidin-1-yl)sulfonyl-4-methyl-1,3-thiazole

C11H17ClN2O2S2 — CID 43456226

IUPAC2-chloro-5-(2-ethylpiperidin-1-yl)sulfonyl-4-methyl-1,3-thiazole
SMILESCCC1CCCCN1S(=O)(=O)c1sc(Cl)nc1C
InChIInChI=1S/C11H17ClN2O2S2/c1-3-9-6-4-5-7-14(9)18(15,16)10-8(2)13-11(12)17-10/h9H,3-7H2,1-2H3
InChIKeyPGURWOQSRWYNLX-UHFFFAOYSA-N
MW308.86 g/mol
LogP3.06
Rot. Bonds3

About 2-chloro-5-(2-ethylpiperidin-1-yl)sulfonyl-4-methyl-1,3-thiazole

2-chloro-5-(2-ethylpiperidin-1-yl)sulfonyl-4-methyl-1,3-thiazole (PubChem CID 43456226) has the molecular formula C11H17ClN2O2S2 and a molecular weight of 308.86 g/mol. Its IUPAC name is 2-chloro-5-(2-ethylpiperidin-1-yl)sulfonyl-4-methyl-1,3-thiazole.

Molecular Properties

Compound Name2-chloro-5-(2-ethylpiperidin-1-yl)sulfonyl-4-methyl-1,3-thiazole
PubChem CID43456226
Molecular FormulaC11H17ClN2O2S2
Molecular Weight308.86 g/mol
Exact Mass308.04
IUPAC Name2-chloro-5-(2-ethylpiperidin-1-yl)sulfonyl-4-methyl-1,3-thiazole
SMILESCCC1CCCCN1S(=O)(=O)c1sc(Cl)nc1C
InChIInChI=1S/C11H17ClN2O2S2/c1-3-9-6-4-5-7-14(9)18(15,16)10-8(2)13-11(12)17-10/h9H,3-7H2,1-2H3
InChIKeyPGURWOQSRWYNLX-UHFFFAOYSA-N
XLogP3.06
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.86
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[(2R)-1-[(2-chloro-4-methyl-1,3-thiazol-5-yl)sulfonyl]pyrrolidin-2-yl]methanol
CID 103833916
1-[1-[(2-chloro-4-methyl-1,3-thiazol-5-yl)sulfonyl]pyrrolidin-2-yl]-N,N-dimethylmethanamine
CID 62889113
ethyl 1-[(2-chloro-4-methyl-1,3-thiazol-5-yl)sulfonyl]piperidine-2-carboxylate
CID 43648322
4-[(2-chloro-4-methyl-1,3-thiazol-5-yl)sulfonyl]-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazine
CID 61045232
2-chloro-4-methyl-5-[(4-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)sulfonyl]-1,3-thiazole
CID 61047057
1-[(2-chloro-4-methyl-1,3-thiazol-5-yl)sulfonyl]-N-methylpyrrolidine-2-carboxamide
CID 54979772
1-(5-chlorothiophen-2-yl)sulfonyl-2-ethylpiperidine
CID 19682804
2-chloro-5-(2,4-dimethylpiperidin-1-yl)sulfonyl-4-methyl-1,3-thiazole
CID 55061949
4-[(2-chloro-4-methyl-1,3-thiazol-5-yl)sulfonyl]-2-ethylmorpholine
CID 43562748
1-[1-[(2,4-dimethyl-1,3-thiazol-5-yl)sulfonyl]pyrrolidin-2-yl]-N-methylmethanamine;hydrochloride
CID 119991008
2-chloro-4-methyl-5-[2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]sulfonyl-1,3-thiazole
CID 61046643
2-chloro-4-methyl-5-[(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)sulfonyl]-1,3-thiazole
CID 79477565

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-(2-ethylpiperidin-1-yl)sulfonyl-4-methyl-1,3-thiazole?
The IUPAC name of 2-chloro-5-(2-ethylpiperidin-1-yl)sulfonyl-4-methyl-1,3-thiazole (CID 43456226) is 2-chloro-5-(2-ethylpiperidin-1-yl)sulfonyl-4-methyl-1,3-thiazole.
What is the SMILES notation for 2-chloro-5-(2-ethylpiperidin-1-yl)sulfonyl-4-methyl-1,3-thiazole?
The canonical SMILES for 2-chloro-5-(2-ethylpiperidin-1-yl)sulfonyl-4-methyl-1,3-thiazole is CCC1CCCCN1S(=O)(=O)c1sc(Cl)nc1C.
What is the InChIKey of 2-chloro-5-(2-ethylpiperidin-1-yl)sulfonyl-4-methyl-1,3-thiazole?
The InChIKey is PGURWOQSRWYNLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17ClN2O2S2/c1-3-9-6-4-5-7-14(9)18(15,16)10-8(2)13-11(12)17-10/h9H,3-7H2,1-2H3.
What are the key properties of 2-chloro-5-(2-ethylpiperidin-1-yl)sulfonyl-4-methyl-1,3-thiazole?
2-chloro-5-(2-ethylpiperidin-1-yl)sulfonyl-4-methyl-1,3-thiazole has a molecular weight of 308.86 g/mol, XLogP of 3.06, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-(2-ethylpiperidin-1-yl)sulfonyl-4-methyl-1,3-thiazole is sourced from PubChem (CID 43456226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).