N-[[1-[2-[2-(difluoromethyl)imidazo[2,1-b][1,3]thiazol-5-yl]pyrimidin-4-yl]-4,4-difluoro-5-methylpiperidin-3-yl]methyl]methanesulfonamide

C18H20F4N6O2S2 — CID 139343299

IUPACN-[[1-[2-[2-(difluoromethyl)imidazo[2,1-b][1,3]thiazol-5-yl]pyrimidin-4-yl]-4,4-difluoro-5-methylpiperidin-3-yl]methyl]methanesulfonamide
SMILESCC1CN(c2ccnc(-c3cnc4sc(C(F)F)cn34)n2)CC(CNS(C)(=O)=O)C1(F)F
InChIInChI=1S/C18H20F4N6O2S2/c1-10-7-27(8-11(18(10,21)22)5-25-32(2,29)30)14-3-4-23-16(26-14)12-6-24-17-28(12)9-13(31-17)15(19)20/h3-4,6,9-11,15,25H,5,7-8H2,1-2H3
InChIKeyZUIRUZJTBARRRE-UHFFFAOYSA-N
MW492.52 g/mol
LogP3.05
Rot. Bonds6

About N-[[1-[2-[2-(difluoromethyl)imidazo[2,1-b][1,3]thiazol-5-yl]pyrimidin-4-yl]-4,4-difluoro-5-methylpiperidin-3-yl]methyl]methanesulfonamide

N-[[1-[2-[2-(difluoromethyl)imidazo[2,1-b][1,3]thiazol-5-yl]pyrimidin-4-yl]-4,4-difluoro-5-methylpiperidin-3-yl]methyl]methanesulfonamide (PubChem CID 139343299) has the molecular formula C18H20F4N6O2S2 and a molecular weight of 492.52 g/mol. Its IUPAC name is N-[[1-[2-[2-(difluoromethyl)imidazo[2,1-b][1,3]thiazol-5-yl]pyrimidin-4-yl]-4,4-difluoro-5-methylpiperidin-3-yl]methyl]methanesulfonamide.

Molecular Properties

Compound NameN-[[1-[2-[2-(difluoromethyl)imidazo[2,1-b][1,3]thiazol-5-yl]pyrimidin-4-yl]-4,4-difluoro-5-methylpiperidin-3-yl]methyl]methanesulfonamide
PubChem CID139343299
Molecular FormulaC18H20F4N6O2S2
Molecular Weight492.52 g/mol
Exact Mass492.10
IUPAC NameN-[[1-[2-[2-(difluoromethyl)imidazo[2,1-b][1,3]thiazol-5-yl]pyrimidin-4-yl]-4,4-difluoro-5-methylpiperidin-3-yl]methyl]methanesulfonamide
SMILESCC1CN(c2ccnc(-c3cnc4sc(C(F)F)cn34)n2)CC(CNS(C)(=O)=O)C1(F)F
InChIInChI=1S/C18H20F4N6O2S2/c1-10-7-27(8-11(18(10,21)22)5-25-32(2,29)30)14-3-4-23-16(26-14)12-6-24-17-28(12)9-13(31-17)15(19)20/h3-4,6,9-11,15,25H,5,7-8H2,1-2H3
InChIKeyZUIRUZJTBARRRE-UHFFFAOYSA-N
XLogP3.05
TPSA92.49 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.52
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze N-[[1-[2-[2-(difluoromethyl)imidazo[2,1-b][1,3]thiazol-5-yl]pyrimidin-4-yl]-4,4-difluoro-5-methylpiperidin-3-yl]methyl]methanesulfonamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[[1-[2-[2-(difluoromethyl)imidazo[2,1-b][1,3]thiazol-5-yl]pyrimidin-4-yl]-4,4-difluoro-5-methylpiperidin-3-yl]methyl]methanesulfonamide?
The IUPAC name of N-[[1-[2-[2-(difluoromethyl)imidazo[2,1-b][1,3]thiazol-5-yl]pyrimidin-4-yl]-4,4-difluoro-5-methylpiperidin-3-yl]methyl]methanesulfonamide (CID 139343299) is N-[[1-[2-[2-(difluoromethyl)imidazo[2,1-b][1,3]thiazol-5-yl]pyrimidin-4-yl]-4,4-difluoro-5-methylpiperidin-3-yl]methyl]methanesulfonamide.
What is the SMILES notation for N-[[1-[2-[2-(difluoromethyl)imidazo[2,1-b][1,3]thiazol-5-yl]pyrimidin-4-yl]-4,4-difluoro-5-methylpiperidin-3-yl]methyl]methanesulfonamide?
The canonical SMILES for N-[[1-[2-[2-(difluoromethyl)imidazo[2,1-b][1,3]thiazol-5-yl]pyrimidin-4-yl]-4,4-difluoro-5-methylpiperidin-3-yl]methyl]methanesulfonamide is CC1CN(c2ccnc(-c3cnc4sc(C(F)F)cn34)n2)CC(CNS(C)(=O)=O)C1(F)F.
What is the InChIKey of N-[[1-[2-[2-(difluoromethyl)imidazo[2,1-b][1,3]thiazol-5-yl]pyrimidin-4-yl]-4,4-difluoro-5-methylpiperidin-3-yl]methyl]methanesulfonamide?
The InChIKey is ZUIRUZJTBARRRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20F4N6O2S2/c1-10-7-27(8-11(18(10,21)22)5-25-32(2,29)30)14-3-4-23-16(26-14)12-6-24-17-28(12)9-13(31-17)15(19)20/h3-4,6,9-11,15,25H,5,7-8H2,1-2H3.
What are the key properties of N-[[1-[2-[2-(difluoromethyl)imidazo[2,1-b][1,3]thiazol-5-yl]pyrimidin-4-yl]-4,4-difluoro-5-methylpiperidin-3-yl]methyl]methanesulfonamide?
N-[[1-[2-[2-(difluoromethyl)imidazo[2,1-b][1,3]thiazol-5-yl]pyrimidin-4-yl]-4,4-difluoro-5-methylpiperidin-3-yl]methyl]methanesulfonamide has a molecular weight of 492.52 g/mol, XLogP of 3.05, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[2-[2-(difluoromethyl)imidazo[2,1-b][1,3]thiazol-5-yl]pyrimidin-4-yl]-4,4-difluoro-5-methylpiperidin-3-yl]methyl]methanesulfonamide is sourced from PubChem (CID 139343299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).