3-(6-chloronaphthalen-2-yl)sulfonyl-1-[4-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-ylmethyl)piperidin-1-yl]propan-1-one;hydrochloride

C24H27Cl2N3O3S2 — CID 161276041

IUPAC3-(6-chloronaphthalen-2-yl)sulfonyl-1-[4-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-ylmethyl)piperidin-1-yl]propan-1-one;hydrochloride
SMILESCl.O=C(CCS(=O)(=O)c1ccc2cc(Cl)ccc2c1)N1CCC(CC2=CSC3=NCCN23)CC1
InChIInChI=1S/C24H26ClN3O3S2.ClH/c25-20-3-1-19-15-22(4-2-18(19)14-20)33(30,31)12-7-23(29)27-9-5-17(6-10-27)13-21-16-32-24-26-8-11-28(21)24;/h1-4,14-17H,5-13H2;1H
InChIKeyYKPDNCJBWXOAOY-UHFFFAOYSA-N
MW540.54 g/mol
LogP4.97
Rot. Bonds6

About 3-(6-chloronaphthalen-2-yl)sulfonyl-1-[4-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-ylmethyl)piperidin-1-yl]propan-1-one;hydrochloride

3-(6-chloronaphthalen-2-yl)sulfonyl-1-[4-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-ylmethyl)piperidin-1-yl]propan-1-one;hydrochloride (PubChem CID 161276041) has the molecular formula C24H27Cl2N3O3S2 and a molecular weight of 540.54 g/mol. Its IUPAC name is 3-(6-chloronaphthalen-2-yl)sulfonyl-1-[4-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-ylmethyl)piperidin-1-yl]propan-1-one;hydrochloride.

Molecular Properties

Compound Name3-(6-chloronaphthalen-2-yl)sulfonyl-1-[4-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-ylmethyl)piperidin-1-yl]propan-1-one;hydrochloride
PubChem CID161276041
Molecular FormulaC24H27Cl2N3O3S2
Molecular Weight540.54 g/mol
Exact Mass539.09
IUPAC Name3-(6-chloronaphthalen-2-yl)sulfonyl-1-[4-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-ylmethyl)piperidin-1-yl]propan-1-one;hydrochloride
SMILESCl.O=C(CCS(=O)(=O)c1ccc2cc(Cl)ccc2c1)N1CCC(CC2=CSC3=NCCN23)CC1
InChIInChI=1S/C24H26ClN3O3S2.ClH/c25-20-3-1-19-15-22(4-2-18(19)14-20)33(30,31)12-7-23(29)27-9-5-17(6-10-27)13-21-16-32-24-26-8-11-28(21)24;/h1-4,14-17H,5-13H2;1H
InChIKeyYKPDNCJBWXOAOY-UHFFFAOYSA-N
XLogP4.97
TPSA70.05 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500540.54
LogP ≤ 54.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-(6-chloronaphthalen-2-yl)sulfonyl-1-[4-(7-hydroxy-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-6-yl)piperidin-1-yl]propan-1-one
CID 66854508
1-[4-(2-butylimidazol-1-yl)piperidin-1-yl]-3-(6-chloronaphthalen-2-yl)sulfonylpropan-1-one
CID 66853646
7-[1-[3-(6-chloronaphthalen-2-yl)sulfonylpropanoyl]piperidin-4-yl]-3-methyl-5,8-dihydroimidazo[1,5-a]pyrazin-6-one
CID 66852881
3-(6-chloronaphthalen-2-yl)sulfonyl-1-(4-imidazo[1,2-a]pyrimidin-3-ylpiperidin-1-yl)propan-1-one
CID 66852882
3-(6-chloronaphthalen-2-yl)sulfonyl-1-[4-(1,4,8-triazatricyclo[7.4.0.02,7]trideca-2(7),8,10,12-tetraen-4-yl)piperidin-1-yl]propan-1-one;dihydrochloride
CID 66854005
6-[1-[3-(6-chloronaphthalen-2-yl)sulfonylpropanoyl]piperidin-4-yl]-1H-imidazo[1,2-c]imidazol-5-one
CID 91258829
6-[1-[3-(6-chloronaphthalen-2-yl)sulfonylpropanoyl]piperidin-4-yl]-2-methyl-3,5-dihydroimidazo[1,5-c]imidazol-7-one
CID 66853029
5-[1-[3-(6-chloronaphthalen-2-yl)sulfonylpropanoyl]piperidin-4-yl]-1-methyl-2-(methylamino)-5,6-dihydrocyclopenta[b]pyrrol-4-one
CID 91346628
prop-2-enyl (NZ)-N-[5-[1-[3-(6-chloronaphthalen-2-yl)sulfonylpropanoyl]piperidin-4-yl]-3-methyl-1,3-thiazol-2-ylidene]carbamate
CID 140536539
3-(6-chloronaphthalen-2-yl)sulfonyl-1-[4-[[5-(hydroxymethyl)-3-methyl-2-methylimino-1,3-thiazol-4-yl]methyl]piperazin-1-yl]propan-1-one
CID 23130926
1-[4-(6-chloro-1,3-benzothiazol-2-yl)piperazin-1-yl]-3-(4-chlorophenyl)sulfonylpropan-1-one
CID 27370389
methyl 3-(6-chloronaphthalen-2-yl)sulfonylpropanoate
CID 11335965

Frequently Asked Questions

What is the IUPAC name of 3-(6-chloronaphthalen-2-yl)sulfonyl-1-[4-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-ylmethyl)piperidin-1-yl]propan-1-one;hydrochloride?
The IUPAC name of 3-(6-chloronaphthalen-2-yl)sulfonyl-1-[4-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-ylmethyl)piperidin-1-yl]propan-1-one;hydrochloride (CID 161276041) is 3-(6-chloronaphthalen-2-yl)sulfonyl-1-[4-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-ylmethyl)piperidin-1-yl]propan-1-one;hydrochloride.
What is the SMILES notation for 3-(6-chloronaphthalen-2-yl)sulfonyl-1-[4-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-ylmethyl)piperidin-1-yl]propan-1-one;hydrochloride?
The canonical SMILES for 3-(6-chloronaphthalen-2-yl)sulfonyl-1-[4-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-ylmethyl)piperidin-1-yl]propan-1-one;hydrochloride is Cl.O=C(CCS(=O)(=O)c1ccc2cc(Cl)ccc2c1)N1CCC(CC2=CSC3=NCCN23)CC1.
What is the InChIKey of 3-(6-chloronaphthalen-2-yl)sulfonyl-1-[4-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-ylmethyl)piperidin-1-yl]propan-1-one;hydrochloride?
The InChIKey is YKPDNCJBWXOAOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26ClN3O3S2.ClH/c25-20-3-1-19-15-22(4-2-18(19)14-20)33(30,31)12-7-23(29)27-9-5-17(6-10-27)13-21-16-32-24-26-8-11-28(21)24;/h1-4,14-17H,5-13H2;1H.
What are the key properties of 3-(6-chloronaphthalen-2-yl)sulfonyl-1-[4-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-ylmethyl)piperidin-1-yl]propan-1-one;hydrochloride?
3-(6-chloronaphthalen-2-yl)sulfonyl-1-[4-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-ylmethyl)piperidin-1-yl]propan-1-one;hydrochloride has a molecular weight of 540.54 g/mol, XLogP of 4.97, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-chloronaphthalen-2-yl)sulfonyl-1-[4-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-ylmethyl)piperidin-1-yl]propan-1-one;hydrochloride is sourced from PubChem (CID 161276041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).