N-methyl-N-[1-(6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)piperidin-4-yl]methanesulfonamide

C12H19N5O2S2 — CID 48736168

IUPACN-methyl-N-[1-(6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)piperidin-4-yl]methanesulfonamide
SMILESCc1cn2nc(N3CCC(N(C)S(C)(=O)=O)CC3)sc2n1
InChIInChI=1S/C12H19N5O2S2/c1-9-8-17-11(13-9)20-12(14-17)16-6-4-10(5-7-16)15(2)21(3,18)19/h8,10H,4-7H2,1-3H3
InChIKeyCSAXBZIYCAHQFE-UHFFFAOYSA-N
MW329.45 g/mol
LogP0.96
Rot. Bonds3

About N-methyl-N-[1-(6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)piperidin-4-yl]methanesulfonamide

N-methyl-N-[1-(6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)piperidin-4-yl]methanesulfonamide (PubChem CID 48736168) has the molecular formula C12H19N5O2S2 and a molecular weight of 329.45 g/mol. Its IUPAC name is N-methyl-N-[1-(6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)piperidin-4-yl]methanesulfonamide.

Molecular Properties

Compound NameN-methyl-N-[1-(6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)piperidin-4-yl]methanesulfonamide
PubChem CID48736168
Molecular FormulaC12H19N5O2S2
Molecular Weight329.45 g/mol
Exact Mass329.10
IUPAC NameN-methyl-N-[1-(6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)piperidin-4-yl]methanesulfonamide
SMILESCc1cn2nc(N3CCC(N(C)S(C)(=O)=O)CC3)sc2n1
InChIInChI=1S/C12H19N5O2S2/c1-9-8-17-11(13-9)20-12(14-17)16-6-4-10(5-7-16)15(2)21(3,18)19/h8,10H,4-7H2,1-3H3
InChIKeyCSAXBZIYCAHQFE-UHFFFAOYSA-N
XLogP0.96
TPSA70.81 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.45
LogP ≤ 50.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

1-(6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)pyrrolidine-3-carboxylic acid
CID 120964000
ethyl 1-(6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)piperidine-4-carboxylate
CID 30756005
2-[(8aR)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-6-methylimidazo[2,1-b][1,3,4]thiadiazole
CID 94210798
2-[4-(6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)piperazin-1-yl]phenol
CID 35417098
N,N-dimethyl-6-(6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine
CID 86773000
N-[1-[6-[6-amino-5-(trifluoromethyl)-3-pyridinyl]imidazo[2,1-b][1,3,4]thiadiazol-2-yl]piperidin-4-yl]methanesulfonamide
CID 66748618
1-[(2R)-2-[(2S)-1-(6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)pyrrolidin-2-yl]pyrrolidin-1-yl]ethanone
CID 98761901
2-(3-fluorocyclobutyl)-N-[[1-(6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)pyrrolidin-3-yl]methyl]acetamide
CID 167756721
[1-(6-tert-butylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)piperidin-4-yl]-pyrrolidin-1-ylmethanone
CID 55545351
N-cyclopropyl-1-(6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)pyrrolidine-2-carboxamide
CID 47279938
N-methyl-N-[1-(5-methyl-1,3-thiazol-2-yl)piperidin-3-yl]methanesulfonamide
CID 166603271
N-methyl-N-[(4R)-1-pyrimidin-2-ylazepan-4-yl]methanesulfonamide
CID 95811456

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[1-(6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)piperidin-4-yl]methanesulfonamide?
The IUPAC name of N-methyl-N-[1-(6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)piperidin-4-yl]methanesulfonamide (CID 48736168) is N-methyl-N-[1-(6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)piperidin-4-yl]methanesulfonamide.
What is the SMILES notation for N-methyl-N-[1-(6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)piperidin-4-yl]methanesulfonamide?
The canonical SMILES for N-methyl-N-[1-(6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)piperidin-4-yl]methanesulfonamide is Cc1cn2nc(N3CCC(N(C)S(C)(=O)=O)CC3)sc2n1.
What is the InChIKey of N-methyl-N-[1-(6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)piperidin-4-yl]methanesulfonamide?
The InChIKey is CSAXBZIYCAHQFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N5O2S2/c1-9-8-17-11(13-9)20-12(14-17)16-6-4-10(5-7-16)15(2)21(3,18)19/h8,10H,4-7H2,1-3H3.
What are the key properties of N-methyl-N-[1-(6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)piperidin-4-yl]methanesulfonamide?
N-methyl-N-[1-(6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)piperidin-4-yl]methanesulfonamide has a molecular weight of 329.45 g/mol, XLogP of 0.96, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[1-(6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)piperidin-4-yl]methanesulfonamide is sourced from PubChem (CID 48736168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).