[2,5-dimethyl-1-[2-[2-(trifluoromethyl)imidazo[2,1-b][1,3]thiazol-5-yl]pyrimidin-4-yl]piperidin-3-yl]methyl-imino-methyl-λ4-sulfane

C19H23F3N6S2 — CID 139358772

IUPAC[2,5-dimethyl-1-[2-[2-(trifluoromethyl)imidazo[2,1-b][1,3]thiazol-5-yl]pyrimidin-4-yl]piperidin-3-yl]methyl-imino-methyl-λ4-sulfane
SMILES[H]/N=S(\C)CC1CC(C)CN(c2ccnc(-c3cnc4sc(C(F)(F)F)cn34)n2)C1C
InChIInChI=1S/C19H23F3N6S2/c1-11-6-13(10-30(3)23)12(2)27(8-11)16-4-5-24-17(26-16)14-7-25-18-28(14)9-15(29-18)19(20,21)22/h4-5,7,9,11-13,23H,6,8,10H2,1-3H3
InChIKeyASXMEWWSYQSALL-UHFFFAOYSA-N
MW456.56 g/mol
LogP4.73
Rot. Bonds4

About [2,5-dimethyl-1-[2-[2-(trifluoromethyl)imidazo[2,1-b][1,3]thiazol-5-yl]pyrimidin-4-yl]piperidin-3-yl]methyl-imino-methyl-λ4-sulfane

[2,5-dimethyl-1-[2-[2-(trifluoromethyl)imidazo[2,1-b][1,3]thiazol-5-yl]pyrimidin-4-yl]piperidin-3-yl]methyl-imino-methyl-λ4-sulfane (PubChem CID 139358772) has the molecular formula C19H23F3N6S2 and a molecular weight of 456.56 g/mol. Its IUPAC name is [2,5-dimethyl-1-[2-[2-(trifluoromethyl)imidazo[2,1-b][1,3]thiazol-5-yl]pyrimidin-4-yl]piperidin-3-yl]methyl-imino-methyl-λ4-sulfane.

Molecular Properties

Compound Name[2,5-dimethyl-1-[2-[2-(trifluoromethyl)imidazo[2,1-b][1,3]thiazol-5-yl]pyrimidin-4-yl]piperidin-3-yl]methyl-imino-methyl-λ4-sulfane
PubChem CID139358772
Molecular FormulaC19H23F3N6S2
Molecular Weight456.56 g/mol
Exact Mass456.14
IUPAC Name[2,5-dimethyl-1-[2-[2-(trifluoromethyl)imidazo[2,1-b][1,3]thiazol-5-yl]pyrimidin-4-yl]piperidin-3-yl]methyl-imino-methyl-λ4-sulfane
SMILES[H]/N=S(\C)CC1CC(C)CN(c2ccnc(-c3cnc4sc(C(F)(F)F)cn34)n2)C1C
InChIInChI=1S/C19H23F3N6S2/c1-11-6-13(10-30(3)23)12(2)27(8-11)16-4-5-24-17(26-16)14-7-25-18-28(14)9-15(29-18)19(20,21)22/h4-5,7,9,11-13,23H,6,8,10H2,1-3H3
InChIKeyASXMEWWSYQSALL-UHFFFAOYSA-N
XLogP4.73
TPSA70.17 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.56
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze [2,5-dimethyl-1-[2-[2-(trifluoromethyl)imidazo[2,1-b][1,3]thiazol-5-yl]pyrimidin-4-yl]piperidin-3-yl]methyl-imino-methyl-λ4-sulfane with MolForge

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Related Compounds

6-{4-[1-(1,3-thiazol-4-ylmethyl)-1H-imidazol-2-yl]-1-piperidinyl}-4-pyrimidinamine
CID 70755095
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
(3S)-1-[2-[2-(trifluoromethyl)imidazo[2,1-b][1,3]thiazol-5-yl]pyrimidin-4-yl]piperidine-3-carboxamide
CID 139343336
2-(Difluoromethyl)-5-(4-methylsulfanylpyrimidin-2-yl)imidazo[2,1-b][1,3]thiazole
CID 139343758
5-[4-[3-(Methylsulfinylmethyl)piperidin-1-yl]pyrimidin-2-yl]-2-(trifluoromethyl)imidazo[2,1-b][1,3]thiazole
CID 139343760
5-(4-Methylsulfanylpyrimidin-2-yl)-2-(trifluoromethyl)imidazo[2,1-b][1,3]thiazole
CID 139343883
2-[1-[2-[6-(Trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidin-3-yl]-1,3-thiazole
CID 139357771
5-[4-[3-(Methylsulfanylmethyl)piperidin-1-yl]pyrimidin-2-yl]-2-(trifluoromethyl)imidazo[2,1-b][1,3]thiazole
CID 139358272
(Z)-2-[5-dimethylphosphoryl-1-[2-[2-(trifluoromethyl)imidazo[2,1-b][1,3]thiazol-5-yl]pyrimidin-4-yl]piperidin-3-yl]-3-iminoprop-1-en-1-amine
CID 139358356
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]methanesulfinamide
CID 139358359
Dimethyl-oxo-[1-[2-[2-(trifluoromethyl)imidazo[2,1-b][1,3]thiazol-5-yl]pyrimidin-4-yl]piperidin-3-yl]imino-lambda6-sulfane
CID 139358363
(Z)-2-[3,6-dimethyl-4-[2-[2-(trifluoromethyl)imidazo[2,1-b][1,3]thiazol-5-yl]pyrimidin-4-yl]piperazin-2-yl]-3-iminoprop-1-en-1-amine
CID 139358370

Frequently Asked Questions

What is the IUPAC name of [2,5-dimethyl-1-[2-[2-(trifluoromethyl)imidazo[2,1-b][1,3]thiazol-5-yl]pyrimidin-4-yl]piperidin-3-yl]methyl-imino-methyl-λ4-sulfane?
The IUPAC name of [2,5-dimethyl-1-[2-[2-(trifluoromethyl)imidazo[2,1-b][1,3]thiazol-5-yl]pyrimidin-4-yl]piperidin-3-yl]methyl-imino-methyl-λ4-sulfane (CID 139358772) is [2,5-dimethyl-1-[2-[2-(trifluoromethyl)imidazo[2,1-b][1,3]thiazol-5-yl]pyrimidin-4-yl]piperidin-3-yl]methyl-imino-methyl-λ4-sulfane.
What is the SMILES notation for [2,5-dimethyl-1-[2-[2-(trifluoromethyl)imidazo[2,1-b][1,3]thiazol-5-yl]pyrimidin-4-yl]piperidin-3-yl]methyl-imino-methyl-λ4-sulfane?
The canonical SMILES for [2,5-dimethyl-1-[2-[2-(trifluoromethyl)imidazo[2,1-b][1,3]thiazol-5-yl]pyrimidin-4-yl]piperidin-3-yl]methyl-imino-methyl-λ4-sulfane is [H]/N=S(\C)CC1CC(C)CN(c2ccnc(-c3cnc4sc(C(F)(F)F)cn34)n2)C1C.
What is the InChIKey of [2,5-dimethyl-1-[2-[2-(trifluoromethyl)imidazo[2,1-b][1,3]thiazol-5-yl]pyrimidin-4-yl]piperidin-3-yl]methyl-imino-methyl-λ4-sulfane?
The InChIKey is ASXMEWWSYQSALL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23F3N6S2/c1-11-6-13(10-30(3)23)12(2)27(8-11)16-4-5-24-17(26-16)14-7-25-18-28(14)9-15(29-18)19(20,21)22/h4-5,7,9,11-13,23H,6,8,10H2,1-3H3.
What are the key properties of [2,5-dimethyl-1-[2-[2-(trifluoromethyl)imidazo[2,1-b][1,3]thiazol-5-yl]pyrimidin-4-yl]piperidin-3-yl]methyl-imino-methyl-λ4-sulfane?
[2,5-dimethyl-1-[2-[2-(trifluoromethyl)imidazo[2,1-b][1,3]thiazol-5-yl]pyrimidin-4-yl]piperidin-3-yl]methyl-imino-methyl-λ4-sulfane has a molecular weight of 456.56 g/mol, XLogP of 4.73, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2,5-dimethyl-1-[2-[2-(trifluoromethyl)imidazo[2,1-b][1,3]thiazol-5-yl]pyrimidin-4-yl]piperidin-3-yl]methyl-imino-methyl-λ4-sulfane is sourced from PubChem (CID 139358772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).