8-N-[(2-amino-1,3-benzothiazol-6-yl)methyl]-3-N-[(2S)-1-hydroxy-4-methylpentan-2-yl]-2-(trifluoromethyl)imidazo[1,2-a]pyridine-3,8-dicarboxamide

C24H25F3N6O3S — CID 25094953

IUPAC8-N-[(2-amino-1,3-benzothiazol-6-yl)methyl]-3-N-[(2S)-1-hydroxy-4-methylpentan-2-yl]-2-(trifluoromethyl)imidazo[1,2-a]pyridine-3,8-dicarboxamide
SMILESCC(C)C[C@@H](CO)NC(=O)c1c(C(F)(F)F)nc2c(C(=O)NCc3ccc4nc(N)sc4c3)cccn12
InChIInChI=1S/C24H25F3N6O3S/c1-12(2)8-14(11-34)30-22(36)18-19(24(25,26)27)32-20-15(4-3-7-33(18)20)21(35)29-10-13-5-6-16-17(9-13)37-23(28)31-16/h3-7,9,12,14,34H,8,10-11H2,1-2H3,(H2,28,31)(H,29,35)(H,30,36)/t14-/m0/s1
InChIKeyROEJXNFUIVVSFV-AWEZNQCLSA-N
MW534.56 g/mol
LogP3.61
Rot. Bonds8

About 8-N-[(2-amino-1,3-benzothiazol-6-yl)methyl]-3-N-[(2S)-1-hydroxy-4-methylpentan-2-yl]-2-(trifluoromethyl)imidazo[1,2-a]pyridine-3,8-dicarboxamide

8-N-[(2-amino-1,3-benzothiazol-6-yl)methyl]-3-N-[(2S)-1-hydroxy-4-methylpentan-2-yl]-2-(trifluoromethyl)imidazo[1,2-a]pyridine-3,8-dicarboxamide (PubChem CID 25094953) has the molecular formula C24H25F3N6O3S and a molecular weight of 534.56 g/mol. Its IUPAC name is 8-N-[(2-amino-1,3-benzothiazol-6-yl)methyl]-3-N-[(2S)-1-hydroxy-4-methylpentan-2-yl]-2-(trifluoromethyl)imidazo[1,2-a]pyridine-3,8-dicarboxamide.

Molecular Properties

Compound Name8-N-[(2-amino-1,3-benzothiazol-6-yl)methyl]-3-N-[(2S)-1-hydroxy-4-methylpentan-2-yl]-2-(trifluoromethyl)imidazo[1,2-a]pyridine-3,8-dicarboxamide
PubChem CID25094953
Molecular FormulaC24H25F3N6O3S
Molecular Weight534.56 g/mol
Exact Mass534.17
IUPAC Name8-N-[(2-amino-1,3-benzothiazol-6-yl)methyl]-3-N-[(2S)-1-hydroxy-4-methylpentan-2-yl]-2-(trifluoromethyl)imidazo[1,2-a]pyridine-3,8-dicarboxamide
SMILESCC(C)C[C@@H](CO)NC(=O)c1c(C(F)(F)F)nc2c(C(=O)NCc3ccc4nc(N)sc4c3)cccn12
InChIInChI=1S/C24H25F3N6O3S/c1-12(2)8-14(11-34)30-22(36)18-19(24(25,26)27)32-20-15(4-3-7-33(18)20)21(35)29-10-13-5-6-16-17(9-13)37-23(28)31-16/h3-7,9,12,14,34H,8,10-11H2,1-2H3,(H2,28,31)(H,29,35)(H,30,36)/t14-/m0/s1
InChIKeyROEJXNFUIVVSFV-AWEZNQCLSA-N
XLogP3.61
TPSA134.64 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500534.56
LogP ≤ 53.61
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Analyze 8-N-[(2-amino-1,3-benzothiazol-6-yl)methyl]-3-N-[(2S)-1-hydroxy-4-methylpentan-2-yl]-2-(trifluoromethyl)imidazo[1,2-a]pyridine-3,8-dicarboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 8-N-[(2-amino-1,3-benzothiazol-6-yl)methyl]-3-N-[(2S)-1-hydroxy-4-methylpentan-2-yl]-2-(trifluoromethyl)imidazo[1,2-a]pyridine-3,8-dicarboxamide?
The IUPAC name of 8-N-[(2-amino-1,3-benzothiazol-6-yl)methyl]-3-N-[(2S)-1-hydroxy-4-methylpentan-2-yl]-2-(trifluoromethyl)imidazo[1,2-a]pyridine-3,8-dicarboxamide (CID 25094953) is 8-N-[(2-amino-1,3-benzothiazol-6-yl)methyl]-3-N-[(2S)-1-hydroxy-4-methylpentan-2-yl]-2-(trifluoromethyl)imidazo[1,2-a]pyridine-3,8-dicarboxamide.
What is the SMILES notation for 8-N-[(2-amino-1,3-benzothiazol-6-yl)methyl]-3-N-[(2S)-1-hydroxy-4-methylpentan-2-yl]-2-(trifluoromethyl)imidazo[1,2-a]pyridine-3,8-dicarboxamide?
The canonical SMILES for 8-N-[(2-amino-1,3-benzothiazol-6-yl)methyl]-3-N-[(2S)-1-hydroxy-4-methylpentan-2-yl]-2-(trifluoromethyl)imidazo[1,2-a]pyridine-3,8-dicarboxamide is CC(C)C[C@@H](CO)NC(=O)c1c(C(F)(F)F)nc2c(C(=O)NCc3ccc4nc(N)sc4c3)cccn12.
What is the InChIKey of 8-N-[(2-amino-1,3-benzothiazol-6-yl)methyl]-3-N-[(2S)-1-hydroxy-4-methylpentan-2-yl]-2-(trifluoromethyl)imidazo[1,2-a]pyridine-3,8-dicarboxamide?
The InChIKey is ROEJXNFUIVVSFV-AWEZNQCLSA-N. The full InChI is InChI=1S/C24H25F3N6O3S/c1-12(2)8-14(11-34)30-22(36)18-19(24(25,26)27)32-20-15(4-3-7-33(18)20)21(35)29-10-13-5-6-16-17(9-13)37-23(28)31-16/h3-7,9,12,14,34H,8,10-11H2,1-2H3,(H2,28,31)(H,29,35)(H,30,36)/t14-/m0/s1.
What are the key properties of 8-N-[(2-amino-1,3-benzothiazol-6-yl)methyl]-3-N-[(2S)-1-hydroxy-4-methylpentan-2-yl]-2-(trifluoromethyl)imidazo[1,2-a]pyridine-3,8-dicarboxamide?
8-N-[(2-amino-1,3-benzothiazol-6-yl)methyl]-3-N-[(2S)-1-hydroxy-4-methylpentan-2-yl]-2-(trifluoromethyl)imidazo[1,2-a]pyridine-3,8-dicarboxamide has a molecular weight of 534.56 g/mol, XLogP of 3.61, 8 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 8-N-[(2-amino-1,3-benzothiazol-6-yl)methyl]-3-N-[(2S)-1-hydroxy-4-methylpentan-2-yl]-2-(trifluoromethyl)imidazo[1,2-a]pyridine-3,8-dicarboxamide is sourced from PubChem (CID 25094953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).