2-[2-chloro-5-(2-phenylpropan-2-ylcarbamoyl)phenyl]-6-(4-fluorophenyl)-N-methylimidazo[2,1-b][1,3]thiazole-5-carboxamide

C29H24ClFN4O2S — CID 71572144

IUPAC2-[2-chloro-5-(2-phenylpropan-2-ylcarbamoyl)phenyl]-6-(4-fluorophenyl)-N-methylimidazo[2,1-b][1,3]thiazole-5-carboxamide
SMILESCNC(=O)c1c(-c2ccc(F)cc2)nc2sc(-c3cc(C(=O)NC(C)(C)c4ccccc4)ccc3Cl)cn12
InChIInChI=1S/C29H24ClFN4O2S/c1-29(2,19-7-5-4-6-8-19)34-26(36)18-11-14-22(30)21(15-18)23-16-35-25(27(37)32-3)24(33-28(35)38-23)17-9-12-20(31)13-10-17/h4-16H,1-3H3,(H,32,37)(H,34,36)
InChIKeyZFXLVZREMXLHRS-UHFFFAOYSA-N
MW547.06 g/mol
LogP6.55
Rot. Bonds6

About 2-[2-chloro-5-(2-phenylpropan-2-ylcarbamoyl)phenyl]-6-(4-fluorophenyl)-N-methylimidazo[2,1-b][1,3]thiazole-5-carboxamide

2-[2-chloro-5-(2-phenylpropan-2-ylcarbamoyl)phenyl]-6-(4-fluorophenyl)-N-methylimidazo[2,1-b][1,3]thiazole-5-carboxamide (PubChem CID 71572144) has the molecular formula C29H24ClFN4O2S and a molecular weight of 547.06 g/mol. Its IUPAC name is 2-[2-chloro-5-(2-phenylpropan-2-ylcarbamoyl)phenyl]-6-(4-fluorophenyl)-N-methylimidazo[2,1-b][1,3]thiazole-5-carboxamide.

Molecular Properties

Compound Name2-[2-chloro-5-(2-phenylpropan-2-ylcarbamoyl)phenyl]-6-(4-fluorophenyl)-N-methylimidazo[2,1-b][1,3]thiazole-5-carboxamide
PubChem CID71572144
Molecular FormulaC29H24ClFN4O2S
Molecular Weight547.06 g/mol
Exact Mass546.13
IUPAC Name2-[2-chloro-5-(2-phenylpropan-2-ylcarbamoyl)phenyl]-6-(4-fluorophenyl)-N-methylimidazo[2,1-b][1,3]thiazole-5-carboxamide
SMILESCNC(=O)c1c(-c2ccc(F)cc2)nc2sc(-c3cc(C(=O)NC(C)(C)c4ccccc4)ccc3Cl)cn12
InChIInChI=1S/C29H24ClFN4O2S/c1-29(2,19-7-5-4-6-8-19)34-26(36)18-11-14-22(30)21(15-18)23-16-35-25(27(37)32-3)24(33-28(35)38-23)17-9-12-20(31)13-10-17/h4-16H,1-3H3,(H,32,37)(H,34,36)
InChIKeyZFXLVZREMXLHRS-UHFFFAOYSA-N
XLogP6.55
TPSA75.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500547.06
LogP ≤ 56.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-[2-chloro-5-(2-phenylpropan-2-ylcarbamoyl)phenyl]-2-(4-fluorophenyl)-N-methylimidazo[1,2-a]pyridine-3-carboxamide
CID 59233686
2-(4-fluorophenyl)-N,7-dimethyl-6-[2-methyl-5-(2-phenylpropan-2-ylcarbamoyl)phenyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 59233804
2-[5-(tert-butylcarbamoyl)-2-methylphenyl]-6-(4-chlorophenyl)-N-methylimidazo[2,1-b][1,3]thiazole-5-carboxamide
CID 71572950
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
6-(4-fluorophenyl)-N-methyl-2-[3-[(1-pyridin-2-ylcyclopropyl)carbamoyl]phenyl]imidazo[2,1-b][1,3]thiazole-5-carboxamide
CID 71572034
2-[(4-fluorophenyl)methyl]-6-[3-(2-phenylpropan-2-ylcarbamoyl)phenyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 67217154
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
2,5-dichloro-N-[2-(4-fluorophenyl)propan-2-yl]benzamide
CID 110440797
N-(1-bromo-2-phenylpropan-2-yl)-4-chloro-3-fluorobenzamide
CID 107994349
2-(4-fluorophenyl)-N-methyl-4-nitro-5-[3-(2-phenylpropan-2-ylcarbamoyl)phenyl]-1-benzofuran-3-carboxamide
CID 59275466
N-(2-phenylpropan-2-yl)-4-(trifluoromethyl)benzamide
CID 113091749
6-(cyclopropylsulfinylamino)-2-(4-fluorophenyl)-N-methyl-5-[3-(2-phenylpropan-2-ylcarbamoyl)phenyl]-1-benzofuran-3-carboxamide
CID 143956932

Frequently Asked Questions

What is the IUPAC name of 2-[2-chloro-5-(2-phenylpropan-2-ylcarbamoyl)phenyl]-6-(4-fluorophenyl)-N-methylimidazo[2,1-b][1,3]thiazole-5-carboxamide?
The IUPAC name of 2-[2-chloro-5-(2-phenylpropan-2-ylcarbamoyl)phenyl]-6-(4-fluorophenyl)-N-methylimidazo[2,1-b][1,3]thiazole-5-carboxamide (CID 71572144) is 2-[2-chloro-5-(2-phenylpropan-2-ylcarbamoyl)phenyl]-6-(4-fluorophenyl)-N-methylimidazo[2,1-b][1,3]thiazole-5-carboxamide.
What is the SMILES notation for 2-[2-chloro-5-(2-phenylpropan-2-ylcarbamoyl)phenyl]-6-(4-fluorophenyl)-N-methylimidazo[2,1-b][1,3]thiazole-5-carboxamide?
The canonical SMILES for 2-[2-chloro-5-(2-phenylpropan-2-ylcarbamoyl)phenyl]-6-(4-fluorophenyl)-N-methylimidazo[2,1-b][1,3]thiazole-5-carboxamide is CNC(=O)c1c(-c2ccc(F)cc2)nc2sc(-c3cc(C(=O)NC(C)(C)c4ccccc4)ccc3Cl)cn12.
What is the InChIKey of 2-[2-chloro-5-(2-phenylpropan-2-ylcarbamoyl)phenyl]-6-(4-fluorophenyl)-N-methylimidazo[2,1-b][1,3]thiazole-5-carboxamide?
The InChIKey is ZFXLVZREMXLHRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H24ClFN4O2S/c1-29(2,19-7-5-4-6-8-19)34-26(36)18-11-14-22(30)21(15-18)23-16-35-25(27(37)32-3)24(33-28(35)38-23)17-9-12-20(31)13-10-17/h4-16H,1-3H3,(H,32,37)(H,34,36).
What are the key properties of 2-[2-chloro-5-(2-phenylpropan-2-ylcarbamoyl)phenyl]-6-(4-fluorophenyl)-N-methylimidazo[2,1-b][1,3]thiazole-5-carboxamide?
2-[2-chloro-5-(2-phenylpropan-2-ylcarbamoyl)phenyl]-6-(4-fluorophenyl)-N-methylimidazo[2,1-b][1,3]thiazole-5-carboxamide has a molecular weight of 547.06 g/mol, XLogP of 6.55, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-chloro-5-(2-phenylpropan-2-ylcarbamoyl)phenyl]-6-(4-fluorophenyl)-N-methylimidazo[2,1-b][1,3]thiazole-5-carboxamide is sourced from PubChem (CID 71572144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).