N-[1-[6-[6-amino-5-(trifluoromethyl)-3-pyridinyl]imidazo[2,1-b][1,3,4]thiadiazol-2-yl]piperidin-4-yl]methanesulfonamide

C16H18F3N7O2S2 — CID 66748618

IUPACN-[1-[6-[6-amino-5-(trifluoromethyl)-3-pyridinyl]imidazo[2,1-b][1,3,4]thiadiazol-2-yl]piperidin-4-yl]methanesulfonamide
SMILESCS(=O)(=O)NC1CCN(c2nn3cc(-c4cnc(N)c(C(F)(F)F)c4)nc3s2)CC1
InChIInChI=1S/C16H18F3N7O2S2/c1-30(27,28)24-10-2-4-25(5-3-10)15-23-26-8-12(22-14(26)29-15)9-6-11(16(17,18)19)13(20)21-7-9/h6-8,10,24H,2-5H2,1H3,(H2,20,21)
InChIKeyQLBIVUMBNLGALX-UHFFFAOYSA-N
MW461.50 g/mol
LogP1.97
Rot. Bonds4

About N-[1-[6-[6-amino-5-(trifluoromethyl)-3-pyridinyl]imidazo[2,1-b][1,3,4]thiadiazol-2-yl]piperidin-4-yl]methanesulfonamide

N-[1-[6-[6-amino-5-(trifluoromethyl)-3-pyridinyl]imidazo[2,1-b][1,3,4]thiadiazol-2-yl]piperidin-4-yl]methanesulfonamide (PubChem CID 66748618) has the molecular formula C16H18F3N7O2S2 and a molecular weight of 461.50 g/mol. Its IUPAC name is N-[1-[6-[6-amino-5-(trifluoromethyl)-3-pyridinyl]imidazo[2,1-b][1,3,4]thiadiazol-2-yl]piperidin-4-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[1-[6-[6-amino-5-(trifluoromethyl)-3-pyridinyl]imidazo[2,1-b][1,3,4]thiadiazol-2-yl]piperidin-4-yl]methanesulfonamide
PubChem CID66748618
Molecular FormulaC16H18F3N7O2S2
Molecular Weight461.50 g/mol
Exact Mass461.09
IUPAC NameN-[1-[6-[6-amino-5-(trifluoromethyl)-3-pyridinyl]imidazo[2,1-b][1,3,4]thiadiazol-2-yl]piperidin-4-yl]methanesulfonamide
SMILESCS(=O)(=O)NC1CCN(c2nn3cc(-c4cnc(N)c(C(F)(F)F)c4)nc3s2)CC1
InChIInChI=1S/C16H18F3N7O2S2/c1-30(27,28)24-10-2-4-25(5-3-10)15-23-26-8-12(22-14(26)29-15)9-6-11(16(17,18)19)13(20)21-7-9/h6-8,10,24H,2-5H2,1H3,(H2,20,21)
InChIKeyQLBIVUMBNLGALX-UHFFFAOYSA-N
XLogP1.97
TPSA118.51 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.50
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze N-[1-[6-[6-amino-5-(trifluoromethyl)-3-pyridinyl]imidazo[2,1-b][1,3,4]thiadiazol-2-yl]piperidin-4-yl]methanesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[5-(2,4-Difluorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]-4-methylpiperidin-4-amine
CID 162371039
5-[2-(6-Methyl-pyridin-3-yl)-imidazo[2,1-b][1,3,4]thiadiazol-5-yl]-3-trifluoromethyl-pyridin-2-ylamine
CID 46941130
N-[3-[5-[6-amino-5-(trifluoromethyl)pyridin-3-yl]imidazo[2,1-b][1,3,4]thiadiazol-2-yl]phenyl]methanesulfonamide
CID 66690290
5-[2-(1-Ethyl-1H-pyrazol-4-yl)-imidazo[2,1-b][1,3,4]thiadiazol-5-yl]-3-trifluoromethyl-pyridin-2-ylamine
CID 66716893
5-(2-(3-Methanesulfonyl-phenyl)-imidazo[2,1-b][1,3,4]thiadiazol-5-yl]-3-trifluoromethyl-pyridin-2-ylamine
CID 66717262
(3S,5R)-2-(2,5-difluorophenyl)-5-(2-methylsulfonyl-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl)-1-(pyrimidin-5-ylmethyl)piperidin-3-amine
CID 67977925
N-[[1-[5-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-1,2,4-thiadiazol-3-yl]piperidin-3-yl]methyl]methanesulfonamide
CID 139344486
N-[[1-[3-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-1,2,4-thiadiazol-5-yl]piperidin-3-yl]methyl]methanesulfonamide
CID 139344661
N-[[(3S,5S)-1-[3-[6-(difluoromethyl)imidazo[1,2-a]pyridin-3-yl]-1,2,4-thiadiazol-5-yl]-4,4-difluoro-5-methylpiperidin-3-yl]methyl]methanesulfonamide
CID 139344744
US11427567, Example 129
CID 156066155
US11427567, Example 169
CID 156066434
6-(difluoromethyl)-8-N-(1,4-dimethylpyrazol-3-yl)-2-N-(1-methylsulfonylpiperidin-4-yl)pyrido[3,4-d]pyrimidine-2,8-diamine
CID 169075922

Frequently Asked Questions

What is the IUPAC name of N-[1-[6-[6-amino-5-(trifluoromethyl)-3-pyridinyl]imidazo[2,1-b][1,3,4]thiadiazol-2-yl]piperidin-4-yl]methanesulfonamide?
The IUPAC name of 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) is N-[1-[6-[6-amino-5-(trifluoromethyl)-3-pyridinyl]imidazo[2,1-b][1,3,4]thiadiazol-2-yl]piperidin-4-yl]methanesulfonamide.
What is the SMILES notation for N-[1-[6-[6-amino-5-(trifluoromethyl)-3-pyridinyl]imidazo[2,1-b][1,3,4]thiadiazol-2-yl]piperidin-4-yl]methanesulfonamide?
The canonical SMILES for N-[1-[6-[6-amino-5-(trifluoromethyl)-3-pyridinyl]imidazo[2,1-b][1,3,4]thiadiazol-2-yl]piperidin-4-yl]methanesulfonamide is CS(=O)(=O)NC1CCN(c2nn3cc(-c4cnc(N)c(C(F)(F)F)c4)nc3s2)CC1.
What is the InChIKey of N-[1-[6-[6-amino-5-(trifluoromethyl)-3-pyridinyl]imidazo[2,1-b][1,3,4]thiadiazol-2-yl]piperidin-4-yl]methanesulfonamide?
The InChIKey is QLBIVUMBNLGALX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18F3N7O2S2/c1-30(27,28)24-10-2-4-25(5-3-10)15-23-26-8-12(22-14(26)29-15)9-6-11(16(17,18)19)13(20)21-7-9/h6-8,10,24H,2-5H2,1H3,(H2,20,21).
What are the key properties of N-[1-[6-[6-amino-5-(trifluoromethyl)-3-pyridinyl]imidazo[2,1-b][1,3,4]thiadiazol-2-yl]piperidin-4-yl]methanesulfonamide?
N-[1-[6-[6-amino-5-(trifluoromethyl)-3-pyridinyl]imidazo[2,1-b][1,3,4]thiadiazol-2-yl]piperidin-4-yl]methanesulfonamide has a molecular weight of 461.50 g/mol, XLogP of 1.97, 4 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[6-[6-amino-5-(trifluoromethyl)-3-pyridinyl]imidazo[2,1-b][1,3,4]thiadiazol-2-yl]piperidin-4-yl]methanesulfonamide is sourced from PubChem (CID 66748618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).