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

C29H23FN4O2S — CID 71572142

IUPAC6-(4-fluorophenyl)-N-methyl-2-[3-[(1-phenylcyclopropyl)carbamoyl]phenyl]imidazo[2,1-b][1,3]thiazole-5-carboxamide
SMILESCNC(=O)c1c(-c2ccc(F)cc2)nc2sc(-c3cccc(C(=O)NC4(c5ccccc5)CC4)c3)cn12
InChIInChI=1S/C29H23FN4O2S/c1-31-27(36)25-24(18-10-12-22(30)13-11-18)32-28-34(25)17-23(37-28)19-6-5-7-20(16-19)26(35)33-29(14-15-29)21-8-3-2-4-9-21/h2-13,16-17H,14-15H2,1H3,(H,31,36)(H,33,35)
InChIKeyLKJMKUUGQUCHRZ-UHFFFAOYSA-N
MW510.59 g/mol
LogP5.65
Rot. Bonds6

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

6-(4-fluorophenyl)-N-methyl-2-[3-[(1-phenylcyclopropyl)carbamoyl]phenyl]imidazo[2,1-b][1,3]thiazole-5-carboxamide (PubChem CID 71572142) has the molecular formula C29H23FN4O2S and a molecular weight of 510.59 g/mol. Its IUPAC name is 6-(4-fluorophenyl)-N-methyl-2-[3-[(1-phenylcyclopropyl)carbamoyl]phenyl]imidazo[2,1-b][1,3]thiazole-5-carboxamide.

Molecular Properties

Compound Name6-(4-fluorophenyl)-N-methyl-2-[3-[(1-phenylcyclopropyl)carbamoyl]phenyl]imidazo[2,1-b][1,3]thiazole-5-carboxamide
PubChem CID71572142
Molecular FormulaC29H23FN4O2S
Molecular Weight510.59 g/mol
Exact Mass510.15
IUPAC Name6-(4-fluorophenyl)-N-methyl-2-[3-[(1-phenylcyclopropyl)carbamoyl]phenyl]imidazo[2,1-b][1,3]thiazole-5-carboxamide
SMILESCNC(=O)c1c(-c2ccc(F)cc2)nc2sc(-c3cccc(C(=O)NC4(c5ccccc5)CC4)c3)cn12
InChIInChI=1S/C29H23FN4O2S/c1-31-27(36)25-24(18-10-12-22(30)13-11-18)32-28-34(25)17-23(37-28)19-6-5-7-20(16-19)26(35)33-29(14-15-29)21-8-3-2-4-9-21/h2-13,16-17H,14-15H2,1H3,(H,31,36)(H,33,35)
InChIKeyLKJMKUUGQUCHRZ-UHFFFAOYSA-N
XLogP5.65
TPSA75.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500510.59
LogP ≤ 55.65
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-[3-[(1-phenylcyclopropyl)carbamoyl]phenyl]imidazo[2,1-b][1,3]thiazole-5-carboxamide?
The IUPAC name of 6-(4-fluorophenyl)-N-methyl-2-[3-[(1-phenylcyclopropyl)carbamoyl]phenyl]imidazo[2,1-b][1,3]thiazole-5-carboxamide (CID 71572142) is 6-(4-fluorophenyl)-N-methyl-2-[3-[(1-phenylcyclopropyl)carbamoyl]phenyl]imidazo[2,1-b][1,3]thiazole-5-carboxamide.
What is the SMILES notation for 6-(4-fluorophenyl)-N-methyl-2-[3-[(1-phenylcyclopropyl)carbamoyl]phenyl]imidazo[2,1-b][1,3]thiazole-5-carboxamide?
The canonical SMILES for 6-(4-fluorophenyl)-N-methyl-2-[3-[(1-phenylcyclopropyl)carbamoyl]phenyl]imidazo[2,1-b][1,3]thiazole-5-carboxamide is CNC(=O)c1c(-c2ccc(F)cc2)nc2sc(-c3cccc(C(=O)NC4(c5ccccc5)CC4)c3)cn12.
What is the InChIKey of 6-(4-fluorophenyl)-N-methyl-2-[3-[(1-phenylcyclopropyl)carbamoyl]phenyl]imidazo[2,1-b][1,3]thiazole-5-carboxamide?
The InChIKey is LKJMKUUGQUCHRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H23FN4O2S/c1-31-27(36)25-24(18-10-12-22(30)13-11-18)32-28-34(25)17-23(37-28)19-6-5-7-20(16-19)26(35)33-29(14-15-29)21-8-3-2-4-9-21/h2-13,16-17H,14-15H2,1H3,(H,31,36)(H,33,35).
What are the key properties of 6-(4-fluorophenyl)-N-methyl-2-[3-[(1-phenylcyclopropyl)carbamoyl]phenyl]imidazo[2,1-b][1,3]thiazole-5-carboxamide?
6-(4-fluorophenyl)-N-methyl-2-[3-[(1-phenylcyclopropyl)carbamoyl]phenyl]imidazo[2,1-b][1,3]thiazole-5-carboxamide has a molecular weight of 510.59 g/mol, XLogP of 5.65, 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-[3-[(1-phenylcyclopropyl)carbamoyl]phenyl]imidazo[2,1-b][1,3]thiazole-5-carboxamide is sourced from PubChem (CID 71572142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).