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

C21H16F3N3O2S — CID 134796913

IUPACN-[(3-methoxyphenyl)methyl]-2-[3-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide
SMILESCOc1cccc(CNC(=O)c2cn3cc(-c4cccc(C(F)(F)F)c4)sc3n2)c1
InChIInChI=1S/C21H16F3N3O2S/c1-29-16-7-2-4-13(8-16)10-25-19(28)17-11-27-12-18(30-20(27)26-17)14-5-3-6-15(9-14)21(22,23)24/h2-9,11-12H,10H2,1H3,(H,25,28)
InChIKeyCWMBSAJPRDWJNE-UHFFFAOYSA-N
MW431.44 g/mol
LogP5.02
Rot. Bonds5

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

N-[(3-methoxyphenyl)methyl]-2-[3-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide (PubChem CID 134796913) has the molecular formula C21H16F3N3O2S and a molecular weight of 431.44 g/mol. Its IUPAC name is N-[(3-methoxyphenyl)methyl]-2-[3-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide.

Molecular Properties

Compound NameN-[(3-methoxyphenyl)methyl]-2-[3-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide
PubChem CID134796913
Molecular FormulaC21H16F3N3O2S
Molecular Weight431.44 g/mol
Exact Mass431.09
IUPAC NameN-[(3-methoxyphenyl)methyl]-2-[3-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide
SMILESCOc1cccc(CNC(=O)c2cn3cc(-c4cccc(C(F)(F)F)c4)sc3n2)c1
InChIInChI=1S/C21H16F3N3O2S/c1-29-16-7-2-4-13(8-16)10-25-19(28)17-11-27-12-18(30-20(27)26-17)14-5-3-6-15(9-14)21(22,23)24/h2-9,11-12H,10H2,1H3,(H,25,28)
InChIKeyCWMBSAJPRDWJNE-UHFFFAOYSA-N
XLogP5.02
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500431.44
LogP ≤ 55.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(3-methoxyphenyl)methyl]-2-[3-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide?
The IUPAC name of N-[(3-methoxyphenyl)methyl]-2-[3-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide (CID 134796913) is N-[(3-methoxyphenyl)methyl]-2-[3-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide.
What is the SMILES notation for N-[(3-methoxyphenyl)methyl]-2-[3-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide?
The canonical SMILES for N-[(3-methoxyphenyl)methyl]-2-[3-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide is COc1cccc(CNC(=O)c2cn3cc(-c4cccc(C(F)(F)F)c4)sc3n2)c1.
What is the InChIKey of N-[(3-methoxyphenyl)methyl]-2-[3-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide?
The InChIKey is CWMBSAJPRDWJNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16F3N3O2S/c1-29-16-7-2-4-13(8-16)10-25-19(28)17-11-27-12-18(30-20(27)26-17)14-5-3-6-15(9-14)21(22,23)24/h2-9,11-12H,10H2,1H3,(H,25,28).
What are the key properties of N-[(3-methoxyphenyl)methyl]-2-[3-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide?
N-[(3-methoxyphenyl)methyl]-2-[3-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide has a molecular weight of 431.44 g/mol, XLogP of 5.02, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methoxyphenyl)methyl]-2-[3-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide is sourced from PubChem (CID 134796913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).