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

C27H27FN4O2S — CID 71572373

IUPAC6-(4-fluorophenyl)-N-methyl-2-[2-methyl-5-[(1-propan-2-ylcyclopropyl)carbamoyl]phenyl]imidazo[2,1-b][1,3]thiazole-5-carboxamide
SMILESCNC(=O)c1c(-c2ccc(F)cc2)nc2sc(-c3cc(C(=O)NC4(C(C)C)CC4)ccc3C)cn12
InChIInChI=1S/C27H27FN4O2S/c1-15(2)27(11-12-27)31-24(33)18-6-5-16(3)20(13-18)21-14-32-23(25(34)29-4)22(30-26(32)35-21)17-7-9-19(28)10-8-17/h5-10,13-15H,11-12H2,1-4H3,(H,29,34)(H,31,33)
InChIKeyMTKDCLBRSZEOOF-UHFFFAOYSA-N
MW490.60 g/mol
LogP5.46
Rot. Bonds6

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

6-(4-fluorophenyl)-N-methyl-2-[2-methyl-5-[(1-propan-2-ylcyclopropyl)carbamoyl]phenyl]imidazo[2,1-b][1,3]thiazole-5-carboxamide (PubChem CID 71572373) has the molecular formula C27H27FN4O2S and a molecular weight of 490.60 g/mol. Its IUPAC name is 6-(4-fluorophenyl)-N-methyl-2-[2-methyl-5-[(1-propan-2-ylcyclopropyl)carbamoyl]phenyl]imidazo[2,1-b][1,3]thiazole-5-carboxamide.

Molecular Properties

Compound Name6-(4-fluorophenyl)-N-methyl-2-[2-methyl-5-[(1-propan-2-ylcyclopropyl)carbamoyl]phenyl]imidazo[2,1-b][1,3]thiazole-5-carboxamide
PubChem CID71572373
Molecular FormulaC27H27FN4O2S
Molecular Weight490.60 g/mol
Exact Mass490.18
IUPAC Name6-(4-fluorophenyl)-N-methyl-2-[2-methyl-5-[(1-propan-2-ylcyclopropyl)carbamoyl]phenyl]imidazo[2,1-b][1,3]thiazole-5-carboxamide
SMILESCNC(=O)c1c(-c2ccc(F)cc2)nc2sc(-c3cc(C(=O)NC4(C(C)C)CC4)ccc3C)cn12
InChIInChI=1S/C27H27FN4O2S/c1-15(2)27(11-12-27)31-24(33)18-6-5-16(3)20(13-18)21-14-32-23(25(34)29-4)22(30-26(32)35-21)17-7-9-19(28)10-8-17/h5-10,13-15H,11-12H2,1-4H3,(H,29,34)(H,31,33)
InChIKeyMTKDCLBRSZEOOF-UHFFFAOYSA-N
XLogP5.46
TPSA75.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500490.60
LogP ≤ 55.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(4-fluorophenyl)-N-methyl-2-[2-methyl-5-[(1-propan-2-ylcyclopropyl)carbamoyl]phenyl]imidazo[2,1-b][1,3]thiazole-5-carboxamide?
The IUPAC name of 6-(4-fluorophenyl)-N-methyl-2-[2-methyl-5-[(1-propan-2-ylcyclopropyl)carbamoyl]phenyl]imidazo[2,1-b][1,3]thiazole-5-carboxamide (CID 71572373) is 6-(4-fluorophenyl)-N-methyl-2-[2-methyl-5-[(1-propan-2-ylcyclopropyl)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-[(1-propan-2-ylcyclopropyl)carbamoyl]phenyl]imidazo[2,1-b][1,3]thiazole-5-carboxamide?
The canonical SMILES for 6-(4-fluorophenyl)-N-methyl-2-[2-methyl-5-[(1-propan-2-ylcyclopropyl)carbamoyl]phenyl]imidazo[2,1-b][1,3]thiazole-5-carboxamide is CNC(=O)c1c(-c2ccc(F)cc2)nc2sc(-c3cc(C(=O)NC4(C(C)C)CC4)ccc3C)cn12.
What is the InChIKey of 6-(4-fluorophenyl)-N-methyl-2-[2-methyl-5-[(1-propan-2-ylcyclopropyl)carbamoyl]phenyl]imidazo[2,1-b][1,3]thiazole-5-carboxamide?
The InChIKey is MTKDCLBRSZEOOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27FN4O2S/c1-15(2)27(11-12-27)31-24(33)18-6-5-16(3)20(13-18)21-14-32-23(25(34)29-4)22(30-26(32)35-21)17-7-9-19(28)10-8-17/h5-10,13-15H,11-12H2,1-4H3,(H,29,34)(H,31,33).
What are the key properties of 6-(4-fluorophenyl)-N-methyl-2-[2-methyl-5-[(1-propan-2-ylcyclopropyl)carbamoyl]phenyl]imidazo[2,1-b][1,3]thiazole-5-carboxamide?
6-(4-fluorophenyl)-N-methyl-2-[2-methyl-5-[(1-propan-2-ylcyclopropyl)carbamoyl]phenyl]imidazo[2,1-b][1,3]thiazole-5-carboxamide has a molecular weight of 490.60 g/mol, XLogP of 5.46, 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-[(1-propan-2-ylcyclopropyl)carbamoyl]phenyl]imidazo[2,1-b][1,3]thiazole-5-carboxamide is sourced from PubChem (CID 71572373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).