6-methyl-N-[[(2S)-1-[2-methyl-5-[3-(trifluoromethyl)phenyl]-1,3-thiazole-4-carbonyl]piperidin-2-yl]methyl]imidazo[2,1-b][1,3]thiazole-5-carboxamide

C25H24F3N5O2S2 — CID 25024546

IUPAC6-methyl-N-[[(2S)-1-[2-methyl-5-[3-(trifluoromethyl)phenyl]-1,3-thiazole-4-carbonyl]piperidin-2-yl]methyl]imidazo[2,1-b][1,3]thiazole-5-carboxamide
SMILESCc1nc(C(=O)N2CCCC[C@H]2CNC(=O)c2c(C)nc3sccn23)c(-c2cccc(C(F)(F)F)c2)s1
InChIInChI=1S/C25H24F3N5O2S2/c1-14-20(33-10-11-36-24(33)30-14)22(34)29-13-18-8-3-4-9-32(18)23(35)19-21(37-15(2)31-19)16-6-5-7-17(12-16)25(26,27)28/h5-7,10-12,18H,3-4,8-9,13H2,1-2H3,(H,29,34)/t18-/m0/s1
InChIKeyTXOZGIHXCRXATD-SFHVURJKSA-N
MW547.63 g/mol
LogP5.58
Rot. Bonds5

About 6-methyl-N-[[(2S)-1-[2-methyl-5-[3-(trifluoromethyl)phenyl]-1,3-thiazole-4-carbonyl]piperidin-2-yl]methyl]imidazo[2,1-b][1,3]thiazole-5-carboxamide

6-methyl-N-[[(2S)-1-[2-methyl-5-[3-(trifluoromethyl)phenyl]-1,3-thiazole-4-carbonyl]piperidin-2-yl]methyl]imidazo[2,1-b][1,3]thiazole-5-carboxamide (PubChem CID 25024546) has the molecular formula C25H24F3N5O2S2 and a molecular weight of 547.63 g/mol. Its IUPAC name is 6-methyl-N-[[(2S)-1-[2-methyl-5-[3-(trifluoromethyl)phenyl]-1,3-thiazole-4-carbonyl]piperidin-2-yl]methyl]imidazo[2,1-b][1,3]thiazole-5-carboxamide.

Molecular Properties

Compound Name6-methyl-N-[[(2S)-1-[2-methyl-5-[3-(trifluoromethyl)phenyl]-1,3-thiazole-4-carbonyl]piperidin-2-yl]methyl]imidazo[2,1-b][1,3]thiazole-5-carboxamide
PubChem CID25024546
Molecular FormulaC25H24F3N5O2S2
Molecular Weight547.63 g/mol
Exact Mass547.13
IUPAC Name6-methyl-N-[[(2S)-1-[2-methyl-5-[3-(trifluoromethyl)phenyl]-1,3-thiazole-4-carbonyl]piperidin-2-yl]methyl]imidazo[2,1-b][1,3]thiazole-5-carboxamide
SMILESCc1nc(C(=O)N2CCCC[C@H]2CNC(=O)c2c(C)nc3sccn23)c(-c2cccc(C(F)(F)F)c2)s1
InChIInChI=1S/C25H24F3N5O2S2/c1-14-20(33-10-11-36-24(33)30-14)22(34)29-13-18-8-3-4-9-32(18)23(35)19-21(37-15(2)31-19)16-6-5-7-17(12-16)25(26,27)28/h5-7,10-12,18H,3-4,8-9,13H2,1-2H3,(H,29,34)/t18-/m0/s1
InChIKeyTXOZGIHXCRXATD-SFHVURJKSA-N
XLogP5.58
TPSA79.60 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500547.63
LogP ≤ 55.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 6-methyl-N-[[(2S)-1-[2-methyl-5-[3-(trifluoromethyl)phenyl]-1,3-thiazole-4-carbonyl]piperidin-2-yl]methyl]imidazo[2,1-b][1,3]thiazole-5-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-N-[[(2S)-1-[2-methyl-5-[3-(trifluoromethyl)phenyl]-1,3-thiazole-4-carbonyl]piperidin-2-yl]methyl]imidazo[2,1-b][1,3]thiazole-5-carboxamide?
The IUPAC name of 6-methyl-N-[[(2S)-1-[2-methyl-5-[3-(trifluoromethyl)phenyl]-1,3-thiazole-4-carbonyl]piperidin-2-yl]methyl]imidazo[2,1-b][1,3]thiazole-5-carboxamide (CID 25024546) is 6-methyl-N-[[(2S)-1-[2-methyl-5-[3-(trifluoromethyl)phenyl]-1,3-thiazole-4-carbonyl]piperidin-2-yl]methyl]imidazo[2,1-b][1,3]thiazole-5-carboxamide.
What is the SMILES notation for 6-methyl-N-[[(2S)-1-[2-methyl-5-[3-(trifluoromethyl)phenyl]-1,3-thiazole-4-carbonyl]piperidin-2-yl]methyl]imidazo[2,1-b][1,3]thiazole-5-carboxamide?
The canonical SMILES for 6-methyl-N-[[(2S)-1-[2-methyl-5-[3-(trifluoromethyl)phenyl]-1,3-thiazole-4-carbonyl]piperidin-2-yl]methyl]imidazo[2,1-b][1,3]thiazole-5-carboxamide is Cc1nc(C(=O)N2CCCC[C@H]2CNC(=O)c2c(C)nc3sccn23)c(-c2cccc(C(F)(F)F)c2)s1.
What is the InChIKey of 6-methyl-N-[[(2S)-1-[2-methyl-5-[3-(trifluoromethyl)phenyl]-1,3-thiazole-4-carbonyl]piperidin-2-yl]methyl]imidazo[2,1-b][1,3]thiazole-5-carboxamide?
The InChIKey is TXOZGIHXCRXATD-SFHVURJKSA-N. The full InChI is InChI=1S/C25H24F3N5O2S2/c1-14-20(33-10-11-36-24(33)30-14)22(34)29-13-18-8-3-4-9-32(18)23(35)19-21(37-15(2)31-19)16-6-5-7-17(12-16)25(26,27)28/h5-7,10-12,18H,3-4,8-9,13H2,1-2H3,(H,29,34)/t18-/m0/s1.
What are the key properties of 6-methyl-N-[[(2S)-1-[2-methyl-5-[3-(trifluoromethyl)phenyl]-1,3-thiazole-4-carbonyl]piperidin-2-yl]methyl]imidazo[2,1-b][1,3]thiazole-5-carboxamide?
6-methyl-N-[[(2S)-1-[2-methyl-5-[3-(trifluoromethyl)phenyl]-1,3-thiazole-4-carbonyl]piperidin-2-yl]methyl]imidazo[2,1-b][1,3]thiazole-5-carboxamide has a molecular weight of 547.63 g/mol, XLogP of 5.58, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-N-[[(2S)-1-[2-methyl-5-[3-(trifluoromethyl)phenyl]-1,3-thiazole-4-carbonyl]piperidin-2-yl]methyl]imidazo[2,1-b][1,3]thiazole-5-carboxamide is sourced from PubChem (CID 25024546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).