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

C22H18F3N3OS — CID 118267882

IUPAC2,6-dimethyl-N-[[4-[4-(trifluoromethyl)phenyl]phenyl]methyl]imidazo[2,1-b][1,3]thiazole-5-carboxamide
SMILESCc1cn2c(C(=O)NCc3ccc(-c4ccc(C(F)(F)F)cc4)cc3)c(C)nc2s1
InChIInChI=1S/C22H18F3N3OS/c1-13-12-28-19(14(2)27-21(28)30-13)20(29)26-11-15-3-5-16(6-4-15)17-7-9-18(10-8-17)22(23,24)25/h3-10,12H,11H2,1-2H3,(H,26,29)
InChIKeyPFUGWUZWGXIFRE-UHFFFAOYSA-N
MW429.47 g/mol
LogP5.63
Rot. Bonds4

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

2,6-dimethyl-N-[[4-[4-(trifluoromethyl)phenyl]phenyl]methyl]imidazo[2,1-b][1,3]thiazole-5-carboxamide (PubChem CID 118267882) has the molecular formula C22H18F3N3OS and a molecular weight of 429.47 g/mol. Its IUPAC name is 2,6-dimethyl-N-[[4-[4-(trifluoromethyl)phenyl]phenyl]methyl]imidazo[2,1-b][1,3]thiazole-5-carboxamide.

Molecular Properties

Compound Name2,6-dimethyl-N-[[4-[4-(trifluoromethyl)phenyl]phenyl]methyl]imidazo[2,1-b][1,3]thiazole-5-carboxamide
PubChem CID118267882
Molecular FormulaC22H18F3N3OS
Molecular Weight429.47 g/mol
Exact Mass429.11
IUPAC Name2,6-dimethyl-N-[[4-[4-(trifluoromethyl)phenyl]phenyl]methyl]imidazo[2,1-b][1,3]thiazole-5-carboxamide
SMILESCc1cn2c(C(=O)NCc3ccc(-c4ccc(C(F)(F)F)cc4)cc3)c(C)nc2s1
InChIInChI=1S/C22H18F3N3OS/c1-13-12-28-19(14(2)27-21(28)30-13)20(29)26-11-15-3-5-16(6-4-15)17-7-9-18(10-8-17)22(23,24)25/h3-10,12H,11H2,1-2H3,(H,26,29)
InChIKeyPFUGWUZWGXIFRE-UHFFFAOYSA-N
XLogP5.63
TPSA46.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500429.47
LogP ≤ 55.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-ethyl-2-methyl-N-[[4-[4-(trifluoromethyl)phenyl]phenyl]methyl]imidazo[2,1-b][1,3]thiazole-5-carboxamide
CID 118264341
6-ethyl-2-methyl-N-[[4-[4-(trifluoromethyl)phenoxy]phenyl]methyl]imidazo[2,1-b][1,3]thiazole-5-carboxamide
CID 118264342
N-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methyl]-2,6-dimethylimidazo[2,1-b][1,3]thiazole-5-carboxamide
CID 118264310
5,7,8-trideuterio-2,6-dimethyl-N-[[4-(trifluoromethyl)phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 157092704
2,6-dimethyl-N-[[3-(pentafluoro-λ6-sulfanyl)phenyl]methyl]imidazo[2,1-b][1,3]thiazole-5-carboxamide
CID 126710479
2,7-dimethyl-N-[[4-(trifluoromethyl)phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 121274552
N-[[4-(2,6-dimethylmorpholin-4-yl)phenyl]methyl]-2,6-dimethylimidazo[2,1-b][1,3]thiazole-5-carboxamide
CID 118264362
N-[[3-(4-fluorophenoxy)phenyl]methyl]-2,6-dimethylimidazo[2,1-b][1,3]thiazole-5-carboxamide
CID 118264350
2-methyl-N-[(1-methylindol-5-yl)methyl]-6-(trifluoromethyl)imidazo[2,1-b][1,3]thiazole-5-carboxamide
CID 118264369
2-chloro-N-[[4-(dimethylamino)phenyl]methyl]-6-methylimidazo[2,1-b][1,3]thiazole-5-carboxamide
CID 118264313
2-methyl-6-propan-2-yl-N-[[4-(trifluoromethyl)phenyl]methyl]imidazo[2,1-b][1,3]thiazole-5-sulfonamide
CID 53151726
2-fluoro-6-methyl-N-[[4-(4-oxopiperidin-1-yl)phenyl]methyl]imidazo[2,1-b][1,3]thiazole-5-carboxamide
CID 135193987

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-N-[[4-[4-(trifluoromethyl)phenyl]phenyl]methyl]imidazo[2,1-b][1,3]thiazole-5-carboxamide?
The IUPAC name of 2,6-dimethyl-N-[[4-[4-(trifluoromethyl)phenyl]phenyl]methyl]imidazo[2,1-b][1,3]thiazole-5-carboxamide (CID 118267882) is 2,6-dimethyl-N-[[4-[4-(trifluoromethyl)phenyl]phenyl]methyl]imidazo[2,1-b][1,3]thiazole-5-carboxamide.
What is the SMILES notation for 2,6-dimethyl-N-[[4-[4-(trifluoromethyl)phenyl]phenyl]methyl]imidazo[2,1-b][1,3]thiazole-5-carboxamide?
The canonical SMILES for 2,6-dimethyl-N-[[4-[4-(trifluoromethyl)phenyl]phenyl]methyl]imidazo[2,1-b][1,3]thiazole-5-carboxamide is Cc1cn2c(C(=O)NCc3ccc(-c4ccc(C(F)(F)F)cc4)cc3)c(C)nc2s1.
What is the InChIKey of 2,6-dimethyl-N-[[4-[4-(trifluoromethyl)phenyl]phenyl]methyl]imidazo[2,1-b][1,3]thiazole-5-carboxamide?
The InChIKey is PFUGWUZWGXIFRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18F3N3OS/c1-13-12-28-19(14(2)27-21(28)30-13)20(29)26-11-15-3-5-16(6-4-15)17-7-9-18(10-8-17)22(23,24)25/h3-10,12H,11H2,1-2H3,(H,26,29).
What are the key properties of 2,6-dimethyl-N-[[4-[4-(trifluoromethyl)phenyl]phenyl]methyl]imidazo[2,1-b][1,3]thiazole-5-carboxamide?
2,6-dimethyl-N-[[4-[4-(trifluoromethyl)phenyl]phenyl]methyl]imidazo[2,1-b][1,3]thiazole-5-carboxamide has a molecular weight of 429.47 g/mol, XLogP of 5.63, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-N-[[4-[4-(trifluoromethyl)phenyl]phenyl]methyl]imidazo[2,1-b][1,3]thiazole-5-carboxamide is sourced from PubChem (CID 118267882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).