2-methyl-N-[4-(2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]-3-[4-(trifluoromethoxy)phenyl]benzamide

C26H19F3N4O2S — CID 155997747

IUPAC2-methyl-N-[4-(2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]-3-[4-(trifluoromethoxy)phenyl]benzamide
SMILESCc1nc2ccccn2c1-c1csc(NC(=O)c2cccc(-c3ccc(OC(F)(F)F)cc3)c2C)n1
InChIInChI=1S/C26H19F3N4O2S/c1-15-19(17-9-11-18(12-10-17)35-26(27,28)29)6-5-7-20(15)24(34)32-25-31-21(14-36-25)23-16(2)30-22-8-3-4-13-33(22)23/h3-14H,1-2H3,(H,31,32,34)
InChIKeyJOXUFKADGLSCOR-UHFFFAOYSA-N
MW508.53 g/mol
LogP6.89
Rot. Bonds5

About 2-methyl-N-[4-(2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]-3-[4-(trifluoromethoxy)phenyl]benzamide

2-methyl-N-[4-(2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]-3-[4-(trifluoromethoxy)phenyl]benzamide (PubChem CID 155997747) has the molecular formula C26H19F3N4O2S and a molecular weight of 508.53 g/mol. Its IUPAC name is 2-methyl-N-[4-(2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]-3-[4-(trifluoromethoxy)phenyl]benzamide.

Molecular Properties

Compound Name2-methyl-N-[4-(2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]-3-[4-(trifluoromethoxy)phenyl]benzamide
PubChem CID155997747
Molecular FormulaC26H19F3N4O2S
Molecular Weight508.53 g/mol
Exact Mass508.12
IUPAC Name2-methyl-N-[4-(2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]-3-[4-(trifluoromethoxy)phenyl]benzamide
SMILESCc1nc2ccccn2c1-c1csc(NC(=O)c2cccc(-c3ccc(OC(F)(F)F)cc3)c2C)n1
InChIInChI=1S/C26H19F3N4O2S/c1-15-19(17-9-11-18(12-10-17)35-26(27,28)29)6-5-7-20(15)24(34)32-25-31-21(14-36-25)23-16(2)30-22-8-3-4-13-33(22)23/h3-14H,1-2H3,(H,31,32,34)
InChIKeyJOXUFKADGLSCOR-UHFFFAOYSA-N
XLogP6.89
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500508.53
LogP ≤ 56.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[4-(2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]-3-[4-(trifluoromethoxy)phenyl]benzamide?
The IUPAC name of 2-methyl-N-[4-(2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]-3-[4-(trifluoromethoxy)phenyl]benzamide (CID 155997747) is 2-methyl-N-[4-(2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]-3-[4-(trifluoromethoxy)phenyl]benzamide.
What is the SMILES notation for 2-methyl-N-[4-(2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]-3-[4-(trifluoromethoxy)phenyl]benzamide?
The canonical SMILES for 2-methyl-N-[4-(2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]-3-[4-(trifluoromethoxy)phenyl]benzamide is Cc1nc2ccccn2c1-c1csc(NC(=O)c2cccc(-c3ccc(OC(F)(F)F)cc3)c2C)n1.
What is the InChIKey of 2-methyl-N-[4-(2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]-3-[4-(trifluoromethoxy)phenyl]benzamide?
The InChIKey is JOXUFKADGLSCOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H19F3N4O2S/c1-15-19(17-9-11-18(12-10-17)35-26(27,28)29)6-5-7-20(15)24(34)32-25-31-21(14-36-25)23-16(2)30-22-8-3-4-13-33(22)23/h3-14H,1-2H3,(H,31,32,34).
What are the key properties of 2-methyl-N-[4-(2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]-3-[4-(trifluoromethoxy)phenyl]benzamide?
2-methyl-N-[4-(2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]-3-[4-(trifluoromethoxy)phenyl]benzamide has a molecular weight of 508.53 g/mol, XLogP of 6.89, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[4-(2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]-3-[4-(trifluoromethoxy)phenyl]benzamide is sourced from PubChem (CID 155997747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).