6-(4-fluorophenyl)-N-methyl-2-[2-methyl-5-[[(1R)-1-phenylethyl]carbamoyl]phenyl]imidazo[2,1-b][1,3]thiazole-5-carboxamide

C29H25FN4O2S — CID 71572256

IUPAC6-(4-fluorophenyl)-N-methyl-2-[2-methyl-5-[[(1R)-1-phenylethyl]carbamoyl]phenyl]imidazo[2,1-b][1,3]thiazole-5-carboxamide
SMILESCNC(=O)c1c(-c2ccc(F)cc2)nc2sc(-c3cc(C(=O)N[C@H](C)c4ccccc4)ccc3C)cn12
InChIInChI=1S/C29H25FN4O2S/c1-17-9-10-21(27(35)32-18(2)19-7-5-4-6-8-19)15-23(17)24-16-34-26(28(36)31-3)25(33-29(34)37-24)20-11-13-22(30)14-12-20/h4-16,18H,1-3H3,(H,31,36)(H,32,35)/t18-/m1/s1
InChIKeyDSJTVCCJWQHUCN-GOSISDBHSA-N
MW512.61 g/mol
LogP6.03
Rot. Bonds6

About 6-(4-fluorophenyl)-N-methyl-2-[2-methyl-5-[[(1R)-1-phenylethyl]carbamoyl]phenyl]imidazo[2,1-b][1,3]thiazole-5-carboxamide

6-(4-fluorophenyl)-N-methyl-2-[2-methyl-5-[[(1R)-1-phenylethyl]carbamoyl]phenyl]imidazo[2,1-b][1,3]thiazole-5-carboxamide (PubChem CID 71572256) has the molecular formula C29H25FN4O2S and a molecular weight of 512.61 g/mol. Its IUPAC name is 6-(4-fluorophenyl)-N-methyl-2-[2-methyl-5-[[(1R)-1-phenylethyl]carbamoyl]phenyl]imidazo[2,1-b][1,3]thiazole-5-carboxamide.

Molecular Properties

Compound Name6-(4-fluorophenyl)-N-methyl-2-[2-methyl-5-[[(1R)-1-phenylethyl]carbamoyl]phenyl]imidazo[2,1-b][1,3]thiazole-5-carboxamide
PubChem CID71572256
Molecular FormulaC29H25FN4O2S
Molecular Weight512.61 g/mol
Exact Mass512.17
IUPAC Name6-(4-fluorophenyl)-N-methyl-2-[2-methyl-5-[[(1R)-1-phenylethyl]carbamoyl]phenyl]imidazo[2,1-b][1,3]thiazole-5-carboxamide
SMILESCNC(=O)c1c(-c2ccc(F)cc2)nc2sc(-c3cc(C(=O)N[C@H](C)c4ccccc4)ccc3C)cn12
InChIInChI=1S/C29H25FN4O2S/c1-17-9-10-21(27(35)32-18(2)19-7-5-4-6-8-19)15-23(17)24-16-34-26(28(36)31-3)25(33-29(34)37-24)20-11-13-22(30)14-12-20/h4-16,18H,1-3H3,(H,31,36)(H,32,35)/t18-/m1/s1
InChIKeyDSJTVCCJWQHUCN-GOSISDBHSA-N
XLogP6.03
TPSA75.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500512.61
LogP ≤ 56.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[5-(tert-butylcarbamoyl)-2-methylphenyl]-6-(4-chlorophenyl)-N-methylimidazo[2,1-b][1,3]thiazole-5-carboxamide
CID 71572950
2-[2-chloro-5-(2-phenylpropan-2-ylcarbamoyl)phenyl]-6-(4-fluorophenyl)-N-methylimidazo[2,1-b][1,3]thiazole-5-carboxamide
CID 71572144
2-(4-fluorophenyl)-N,7-dimethyl-6-[2-methyl-5-(2-phenylpropan-2-ylcarbamoyl)phenyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 59233804
6-(4-fluorophenyl)-N-methyl-2-[3-[(1-pyridin-2-ylcyclopropyl)carbamoyl]phenyl]imidazo[2,1-b][1,3]thiazole-5-carboxamide
CID 71572034
3-(4-methoxyphenyl)-4-methyl-N-[(1R)-1-phenylethyl]benzamide
CID 20803221
N-tert-butyl-3-[6-(4-fluorophenyl)-5-[hydroxy(methylamino)methyl]imidazo[2,1-b][1,3]thiazol-2-yl]-N,4-dimethylbenzamide
CID 123481589
6-[2-chloro-5-(2-phenylpropan-2-ylcarbamoyl)phenyl]-2-(4-fluorophenyl)-N-methylimidazo[1,2-a]pyridine-3-carboxamide
CID 59233686
3,4,5-trifluoro-N-(1-phenylethyl)benzamide
CID 63188112
3-methoxy-4-methyl-N-[(1S)-1-phenylethyl]benzamide
CID 26009148
2-chloro-N-[(1R)-1-phenylethyl]-1,3-benzothiazole-6-carboxamide
CID 100787147
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CID 55251408
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Frequently Asked Questions

What is the IUPAC name of 6-(4-fluorophenyl)-N-methyl-2-[2-methyl-5-[[(1R)-1-phenylethyl]carbamoyl]phenyl]imidazo[2,1-b][1,3]thiazole-5-carboxamide?
The IUPAC name of 6-(4-fluorophenyl)-N-methyl-2-[2-methyl-5-[[(1R)-1-phenylethyl]carbamoyl]phenyl]imidazo[2,1-b][1,3]thiazole-5-carboxamide (CID 71572256) is 6-(4-fluorophenyl)-N-methyl-2-[2-methyl-5-[[(1R)-1-phenylethyl]carbamoyl]phenyl]imidazo[2,1-b][1,3]thiazole-5-carboxamide.
What is the SMILES notation for 6-(4-fluorophenyl)-N-methyl-2-[2-methyl-5-[[(1R)-1-phenylethyl]carbamoyl]phenyl]imidazo[2,1-b][1,3]thiazole-5-carboxamide?
The canonical SMILES for 6-(4-fluorophenyl)-N-methyl-2-[2-methyl-5-[[(1R)-1-phenylethyl]carbamoyl]phenyl]imidazo[2,1-b][1,3]thiazole-5-carboxamide is CNC(=O)c1c(-c2ccc(F)cc2)nc2sc(-c3cc(C(=O)N[C@H](C)c4ccccc4)ccc3C)cn12.
What is the InChIKey of 6-(4-fluorophenyl)-N-methyl-2-[2-methyl-5-[[(1R)-1-phenylethyl]carbamoyl]phenyl]imidazo[2,1-b][1,3]thiazole-5-carboxamide?
The InChIKey is DSJTVCCJWQHUCN-GOSISDBHSA-N. The full InChI is InChI=1S/C29H25FN4O2S/c1-17-9-10-21(27(35)32-18(2)19-7-5-4-6-8-19)15-23(17)24-16-34-26(28(36)31-3)25(33-29(34)37-24)20-11-13-22(30)14-12-20/h4-16,18H,1-3H3,(H,31,36)(H,32,35)/t18-/m1/s1.
What are the key properties of 6-(4-fluorophenyl)-N-methyl-2-[2-methyl-5-[[(1R)-1-phenylethyl]carbamoyl]phenyl]imidazo[2,1-b][1,3]thiazole-5-carboxamide?
6-(4-fluorophenyl)-N-methyl-2-[2-methyl-5-[[(1R)-1-phenylethyl]carbamoyl]phenyl]imidazo[2,1-b][1,3]thiazole-5-carboxamide has a molecular weight of 512.61 g/mol, XLogP of 6.03, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-fluorophenyl)-N-methyl-2-[2-methyl-5-[[(1R)-1-phenylethyl]carbamoyl]phenyl]imidazo[2,1-b][1,3]thiazole-5-carboxamide is sourced from PubChem (CID 71572256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).