N-[(5-cyclopropyl-1,2-oxazol-3-yl)methyl]-6-(4-fluorophenyl)-N-methylimidazo[2,1-b][1,3]thiazole-3-carboxamide

C20H17FN4O2S — CID 56723568

IUPACN-[(5-cyclopropyl-1,2-oxazol-3-yl)methyl]-6-(4-fluorophenyl)-N-methylimidazo[2,1-b][1,3]thiazole-3-carboxamide
SMILESCN(Cc1cc(C2CC2)on1)C(=O)c1csc2nc(-c3ccc(F)cc3)cn12
InChIInChI=1S/C20H17FN4O2S/c1-24(9-15-8-18(27-23-15)13-2-3-13)19(26)17-11-28-20-22-16(10-25(17)20)12-4-6-14(21)7-5-12/h4-8,10-11,13H,2-3,9H2,1H3
InChIKeyXBBPPNFORVFDDN-UHFFFAOYSA-N
MW396.45 g/mol
LogP4.34
Rot. Bonds5

About N-[(5-cyclopropyl-1,2-oxazol-3-yl)methyl]-6-(4-fluorophenyl)-N-methylimidazo[2,1-b][1,3]thiazole-3-carboxamide

N-[(5-cyclopropyl-1,2-oxazol-3-yl)methyl]-6-(4-fluorophenyl)-N-methylimidazo[2,1-b][1,3]thiazole-3-carboxamide (PubChem CID 56723568) has the molecular formula C20H17FN4O2S and a molecular weight of 396.45 g/mol. Its IUPAC name is N-[(5-cyclopropyl-1,2-oxazol-3-yl)methyl]-6-(4-fluorophenyl)-N-methylimidazo[2,1-b][1,3]thiazole-3-carboxamide.

Molecular Properties

Compound NameN-[(5-cyclopropyl-1,2-oxazol-3-yl)methyl]-6-(4-fluorophenyl)-N-methylimidazo[2,1-b][1,3]thiazole-3-carboxamide
PubChem CID56723568
Molecular FormulaC20H17FN4O2S
Molecular Weight396.45 g/mol
Exact Mass396.11
IUPAC NameN-[(5-cyclopropyl-1,2-oxazol-3-yl)methyl]-6-(4-fluorophenyl)-N-methylimidazo[2,1-b][1,3]thiazole-3-carboxamide
SMILESCN(Cc1cc(C2CC2)on1)C(=O)c1csc2nc(-c3ccc(F)cc3)cn12
InChIInChI=1S/C20H17FN4O2S/c1-24(9-15-8-18(27-23-15)13-2-3-13)19(26)17-11-28-20-22-16(10-25(17)20)12-4-6-14(21)7-5-12/h4-8,10-11,13H,2-3,9H2,1H3
InChIKeyXBBPPNFORVFDDN-UHFFFAOYSA-N
XLogP4.34
TPSA63.64 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.45
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(5-cyclopropyl-1,2-oxazol-3-yl)methyl]-6-(4-fluorophenyl)-N-methylimidazo[2,1-b][1,3]thiazole-3-carboxamide?
The IUPAC name of N-[(5-cyclopropyl-1,2-oxazol-3-yl)methyl]-6-(4-fluorophenyl)-N-methylimidazo[2,1-b][1,3]thiazole-3-carboxamide (CID 56723568) is N-[(5-cyclopropyl-1,2-oxazol-3-yl)methyl]-6-(4-fluorophenyl)-N-methylimidazo[2,1-b][1,3]thiazole-3-carboxamide.
What is the SMILES notation for N-[(5-cyclopropyl-1,2-oxazol-3-yl)methyl]-6-(4-fluorophenyl)-N-methylimidazo[2,1-b][1,3]thiazole-3-carboxamide?
The canonical SMILES for N-[(5-cyclopropyl-1,2-oxazol-3-yl)methyl]-6-(4-fluorophenyl)-N-methylimidazo[2,1-b][1,3]thiazole-3-carboxamide is CN(Cc1cc(C2CC2)on1)C(=O)c1csc2nc(-c3ccc(F)cc3)cn12.
What is the InChIKey of N-[(5-cyclopropyl-1,2-oxazol-3-yl)methyl]-6-(4-fluorophenyl)-N-methylimidazo[2,1-b][1,3]thiazole-3-carboxamide?
The InChIKey is XBBPPNFORVFDDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17FN4O2S/c1-24(9-15-8-18(27-23-15)13-2-3-13)19(26)17-11-28-20-22-16(10-25(17)20)12-4-6-14(21)7-5-12/h4-8,10-11,13H,2-3,9H2,1H3.
What are the key properties of N-[(5-cyclopropyl-1,2-oxazol-3-yl)methyl]-6-(4-fluorophenyl)-N-methylimidazo[2,1-b][1,3]thiazole-3-carboxamide?
N-[(5-cyclopropyl-1,2-oxazol-3-yl)methyl]-6-(4-fluorophenyl)-N-methylimidazo[2,1-b][1,3]thiazole-3-carboxamide has a molecular weight of 396.45 g/mol, XLogP of 4.34, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-cyclopropyl-1,2-oxazol-3-yl)methyl]-6-(4-fluorophenyl)-N-methylimidazo[2,1-b][1,3]thiazole-3-carboxamide is sourced from PubChem (CID 56723568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).