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

C19H18FN5O2S — CID 56716632

IUPAC6-(4-fluorophenyl)-N-methyl-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]imidazo[2,1-b][1,3]thiazole-3-carboxamide
SMILESCC(C)c1nc(CN(C)C(=O)c2csc3nc(-c4ccc(F)cc4)cn23)no1
InChIInChI=1S/C19H18FN5O2S/c1-11(2)17-22-16(23-27-17)9-24(3)18(26)15-10-28-19-21-14(8-25(15)19)12-4-6-13(20)7-5-12/h4-8,10-11H,9H2,1-3H3
InChIKeyVXWKVLMXWBAARI-UHFFFAOYSA-N
MW399.45 g/mol
LogP3.98
Rot. Bonds5

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

6-(4-fluorophenyl)-N-methyl-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]imidazo[2,1-b][1,3]thiazole-3-carboxamide (PubChem CID 56716632) has the molecular formula C19H18FN5O2S and a molecular weight of 399.45 g/mol. Its IUPAC name is 6-(4-fluorophenyl)-N-methyl-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]imidazo[2,1-b][1,3]thiazole-3-carboxamide.

Molecular Properties

Compound Name6-(4-fluorophenyl)-N-methyl-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]imidazo[2,1-b][1,3]thiazole-3-carboxamide
PubChem CID56716632
Molecular FormulaC19H18FN5O2S
Molecular Weight399.45 g/mol
Exact Mass399.12
IUPAC Name6-(4-fluorophenyl)-N-methyl-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]imidazo[2,1-b][1,3]thiazole-3-carboxamide
SMILESCC(C)c1nc(CN(C)C(=O)c2csc3nc(-c4ccc(F)cc4)cn23)no1
InChIInChI=1S/C19H18FN5O2S/c1-11(2)17-22-16(23-27-17)9-24(3)18(26)15-10-28-19-21-14(8-25(15)19)12-4-6-13(20)7-5-12/h4-8,10-11H,9H2,1-3H3
InChIKeyVXWKVLMXWBAARI-UHFFFAOYSA-N
XLogP3.98
TPSA76.53 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.45
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 6-(4-fluorophenyl)-N-methyl-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]imidazo[2,1-b][1,3]thiazole-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-(4-fluorophenyl)-N-methyl-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]imidazo[2,1-b][1,3]thiazole-3-carboxamide?
The IUPAC name of 6-(4-fluorophenyl)-N-methyl-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]imidazo[2,1-b][1,3]thiazole-3-carboxamide (CID 56716632) is 6-(4-fluorophenyl)-N-methyl-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]imidazo[2,1-b][1,3]thiazole-3-carboxamide.
What is the SMILES notation for 6-(4-fluorophenyl)-N-methyl-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]imidazo[2,1-b][1,3]thiazole-3-carboxamide?
The canonical SMILES for 6-(4-fluorophenyl)-N-methyl-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]imidazo[2,1-b][1,3]thiazole-3-carboxamide is CC(C)c1nc(CN(C)C(=O)c2csc3nc(-c4ccc(F)cc4)cn23)no1.
What is the InChIKey of 6-(4-fluorophenyl)-N-methyl-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]imidazo[2,1-b][1,3]thiazole-3-carboxamide?
The InChIKey is VXWKVLMXWBAARI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FN5O2S/c1-11(2)17-22-16(23-27-17)9-24(3)18(26)15-10-28-19-21-14(8-25(15)19)12-4-6-13(20)7-5-12/h4-8,10-11H,9H2,1-3H3.
What are the key properties of 6-(4-fluorophenyl)-N-methyl-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]imidazo[2,1-b][1,3]thiazole-3-carboxamide?
6-(4-fluorophenyl)-N-methyl-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]imidazo[2,1-b][1,3]thiazole-3-carboxamide has a molecular weight of 399.45 g/mol, XLogP of 3.98, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-fluorophenyl)-N-methyl-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]imidazo[2,1-b][1,3]thiazole-3-carboxamide is sourced from PubChem (CID 56716632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).