N-methyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-6-[3-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3]thiazole-3-carboxamide

C19H15F3N4O2S — CID 42596715

IUPACN-methyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-6-[3-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3]thiazole-3-carboxamide
SMILESCc1cc(CN(C)C(=O)c2csc3nc(-c4cccc(C(F)(F)F)c4)cn23)on1
InChIInChI=1S/C19H15F3N4O2S/c1-11-6-14(28-24-11)8-25(2)17(27)16-10-29-18-23-15(9-26(16)18)12-4-3-5-13(7-12)19(20,21)22/h3-7,9-10H,8H2,1-2H3
InChIKeyBSUDSBGQRGYXJD-UHFFFAOYSA-N
MW420.42 g/mol
LogP4.65
Rot. Bonds4

About N-methyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-6-[3-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3]thiazole-3-carboxamide

N-methyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-6-[3-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3]thiazole-3-carboxamide (PubChem CID 42596715) has the molecular formula C19H15F3N4O2S and a molecular weight of 420.42 g/mol. Its IUPAC name is N-methyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-6-[3-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3]thiazole-3-carboxamide.

Molecular Properties

Compound NameN-methyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-6-[3-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3]thiazole-3-carboxamide
PubChem CID42596715
Molecular FormulaC19H15F3N4O2S
Molecular Weight420.42 g/mol
Exact Mass420.09
IUPAC NameN-methyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-6-[3-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3]thiazole-3-carboxamide
SMILESCc1cc(CN(C)C(=O)c2csc3nc(-c4cccc(C(F)(F)F)c4)cn23)on1
InChIInChI=1S/C19H15F3N4O2S/c1-11-6-14(28-24-11)8-25(2)17(27)16-10-29-18-23-15(9-26(16)18)12-4-3-5-13(7-12)19(20,21)22/h3-7,9-10H,8H2,1-2H3
InChIKeyBSUDSBGQRGYXJD-UHFFFAOYSA-N
XLogP4.65
TPSA63.64 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.42
LogP ≤ 54.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-6-[3-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3]thiazole-3-carboxamide?
The IUPAC name of N-methyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-6-[3-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3]thiazole-3-carboxamide (CID 42596715) is N-methyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-6-[3-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3]thiazole-3-carboxamide.
What is the SMILES notation for N-methyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-6-[3-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3]thiazole-3-carboxamide?
The canonical SMILES for N-methyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-6-[3-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3]thiazole-3-carboxamide is Cc1cc(CN(C)C(=O)c2csc3nc(-c4cccc(C(F)(F)F)c4)cn23)on1.
What is the InChIKey of N-methyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-6-[3-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3]thiazole-3-carboxamide?
The InChIKey is BSUDSBGQRGYXJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15F3N4O2S/c1-11-6-14(28-24-11)8-25(2)17(27)16-10-29-18-23-15(9-26(16)18)12-4-3-5-13(7-12)19(20,21)22/h3-7,9-10H,8H2,1-2H3.
What are the key properties of N-methyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-6-[3-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3]thiazole-3-carboxamide?
N-methyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-6-[3-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3]thiazole-3-carboxamide has a molecular weight of 420.42 g/mol, XLogP of 4.65, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-6-[3-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3]thiazole-3-carboxamide is sourced from PubChem (CID 42596715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).