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

C11H17ClN2O2S2 — CID 55061949

IUPAC2-chloro-5-(2,4-dimethylpiperidin-1-yl)sulfonyl-4-methyl-1,3-thiazole
SMILESCc1nc(Cl)sc1S(=O)(=O)N1CCC(C)CC1C
InChIInChI=1S/C11H17ClN2O2S2/c1-7-4-5-14(8(2)6-7)18(15,16)10-9(3)13-11(12)17-10/h7-8H,4-6H2,1-3H3
InChIKeyLUURYXSYTIEXHJ-UHFFFAOYSA-N
MW308.86 g/mol
LogP2.91
Rot. Bonds2

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

2-chloro-5-(2,4-dimethylpiperidin-1-yl)sulfonyl-4-methyl-1,3-thiazole (PubChem CID 55061949) has the molecular formula C11H17ClN2O2S2 and a molecular weight of 308.86 g/mol. Its IUPAC name is 2-chloro-5-(2,4-dimethylpiperidin-1-yl)sulfonyl-4-methyl-1,3-thiazole.

Molecular Properties

Compound Name2-chloro-5-(2,4-dimethylpiperidin-1-yl)sulfonyl-4-methyl-1,3-thiazole
PubChem CID55061949
Molecular FormulaC11H17ClN2O2S2
Molecular Weight308.86 g/mol
Exact Mass308.04
IUPAC Name2-chloro-5-(2,4-dimethylpiperidin-1-yl)sulfonyl-4-methyl-1,3-thiazole
SMILESCc1nc(Cl)sc1S(=O)(=O)N1CCC(C)CC1C
InChIInChI=1S/C11H17ClN2O2S2/c1-7-4-5-14(8(2)6-7)18(15,16)10-9(3)13-11(12)17-10/h7-8H,4-6H2,1-3H3
InChIKeyLUURYXSYTIEXHJ-UHFFFAOYSA-N
XLogP2.91
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.86
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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
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
[(2R)-1-[(2-chloro-4-methyl-1,3-thiazol-5-yl)sulfonyl]pyrrolidin-2-yl]methanol
CID 103833916
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-5-(2-ethylpiperidin-1-yl)sulfonyl-4-methyl-1,3-thiazole
CID 43456226
1-[1-[(2-chloro-4-methyl-1,3-thiazol-5-yl)sulfonyl]pyrrolidin-2-yl]-N,N-dimethylmethanamine
CID 62889113
2-chloro-5-[(1,6-dimethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)sulfonyl]-4-methyl-1,3-thiazole
CID 61041259
1-[(2-chloro-4-methyl-1,3-thiazol-5-yl)sulfonyl]-N-methylpyrrolidine-2-carboxamide
CID 54979772
4-[(2-chloro-4-methyl-1,3-thiazol-5-yl)sulfonyl]morpholine
CID 43456060
4-[(2-chloro-4-methyl-1,3-thiazol-5-yl)sulfonyl]-2-methylthiomorpholine
CID 115671947
ethyl 1-[(2-chloro-4-methyl-1,3-thiazol-5-yl)sulfonyl]piperidine-2-carboxylate
CID 43648322
1-[(2-chloro-4-methyl-1,3-thiazol-5-yl)sulfonyl]-4-hydroxypyrrolidine-2-carboxamide
CID 61047580

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-(2,4-dimethylpiperidin-1-yl)sulfonyl-4-methyl-1,3-thiazole?
The IUPAC name of 2-chloro-5-(2,4-dimethylpiperidin-1-yl)sulfonyl-4-methyl-1,3-thiazole (CID 55061949) is 2-chloro-5-(2,4-dimethylpiperidin-1-yl)sulfonyl-4-methyl-1,3-thiazole.
What is the SMILES notation for 2-chloro-5-(2,4-dimethylpiperidin-1-yl)sulfonyl-4-methyl-1,3-thiazole?
The canonical SMILES for 2-chloro-5-(2,4-dimethylpiperidin-1-yl)sulfonyl-4-methyl-1,3-thiazole is Cc1nc(Cl)sc1S(=O)(=O)N1CCC(C)CC1C.
What is the InChIKey of 2-chloro-5-(2,4-dimethylpiperidin-1-yl)sulfonyl-4-methyl-1,3-thiazole?
The InChIKey is LUURYXSYTIEXHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17ClN2O2S2/c1-7-4-5-14(8(2)6-7)18(15,16)10-9(3)13-11(12)17-10/h7-8H,4-6H2,1-3H3.
What are the key properties of 2-chloro-5-(2,4-dimethylpiperidin-1-yl)sulfonyl-4-methyl-1,3-thiazole?
2-chloro-5-(2,4-dimethylpiperidin-1-yl)sulfonyl-4-methyl-1,3-thiazole has a molecular weight of 308.86 g/mol, XLogP of 2.91, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-(2,4-dimethylpiperidin-1-yl)sulfonyl-4-methyl-1,3-thiazole is sourced from PubChem (CID 55061949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).