N-(2-aminophenyl)-5-[[5-[2-methyl-7-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]thiophene-2-carboxamide

C23H17F3N6OS2 — CID 89206001

IUPACN-(2-aminophenyl)-5-[[5-[2-methyl-7-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]thiophene-2-carboxamide
SMILESCc1nc2cc(C(F)(F)F)ccn2c1-c1cnc(Nc2ccc(C(=O)Nc3ccccc3N)s2)s1
InChIInChI=1S/C23H17F3N6OS2/c1-12-20(32-9-8-13(23(24,25)26)10-18(32)29-12)17-11-28-22(35-17)31-19-7-6-16(34-19)21(33)30-15-5-3-2-4-14(15)27/h2-11H,27H2,1H3,(H,28,31)(H,30,33)
InChIKeyXOBWRZCFEQTWGT-UHFFFAOYSA-N
MW514.56 g/mol
LogP6.42
Rot. Bonds5

About N-(2-aminophenyl)-5-[[5-[2-methyl-7-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]thiophene-2-carboxamide

N-(2-aminophenyl)-5-[[5-[2-methyl-7-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]thiophene-2-carboxamide (PubChem CID 89206001) has the molecular formula C23H17F3N6OS2 and a molecular weight of 514.56 g/mol. Its IUPAC name is N-(2-aminophenyl)-5-[[5-[2-methyl-7-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-(2-aminophenyl)-5-[[5-[2-methyl-7-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]thiophene-2-carboxamide
PubChem CID89206001
Molecular FormulaC23H17F3N6OS2
Molecular Weight514.56 g/mol
Exact Mass514.09
IUPAC NameN-(2-aminophenyl)-5-[[5-[2-methyl-7-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]thiophene-2-carboxamide
SMILESCc1nc2cc(C(F)(F)F)ccn2c1-c1cnc(Nc2ccc(C(=O)Nc3ccccc3N)s2)s1
InChIInChI=1S/C23H17F3N6OS2/c1-12-20(32-9-8-13(23(24,25)26)10-18(32)29-12)17-11-28-22(35-17)31-19-7-6-16(34-19)21(33)30-15-5-3-2-4-14(15)27/h2-11H,27H2,1H3,(H,28,31)(H,30,33)
InChIKeyXOBWRZCFEQTWGT-UHFFFAOYSA-N
XLogP6.42
TPSA97.34 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500514.56
LogP ≤ 56.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2-aminophenyl)-5-[[5-[2-methyl-7-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]thiophene-2-carboxamide?
The IUPAC name of N-(2-aminophenyl)-5-[[5-[2-methyl-7-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]thiophene-2-carboxamide (CID 89206001) is N-(2-aminophenyl)-5-[[5-[2-methyl-7-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]thiophene-2-carboxamide.
What is the SMILES notation for N-(2-aminophenyl)-5-[[5-[2-methyl-7-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]thiophene-2-carboxamide?
The canonical SMILES for N-(2-aminophenyl)-5-[[5-[2-methyl-7-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]thiophene-2-carboxamide is Cc1nc2cc(C(F)(F)F)ccn2c1-c1cnc(Nc2ccc(C(=O)Nc3ccccc3N)s2)s1.
What is the InChIKey of N-(2-aminophenyl)-5-[[5-[2-methyl-7-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]thiophene-2-carboxamide?
The InChIKey is XOBWRZCFEQTWGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17F3N6OS2/c1-12-20(32-9-8-13(23(24,25)26)10-18(32)29-12)17-11-28-22(35-17)31-19-7-6-16(34-19)21(33)30-15-5-3-2-4-14(15)27/h2-11H,27H2,1H3,(H,28,31)(H,30,33).
What are the key properties of N-(2-aminophenyl)-5-[[5-[2-methyl-7-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]thiophene-2-carboxamide?
N-(2-aminophenyl)-5-[[5-[2-methyl-7-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]thiophene-2-carboxamide has a molecular weight of 514.56 g/mol, XLogP of 6.42, 5 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminophenyl)-5-[[5-[2-methyl-7-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]thiophene-2-carboxamide is sourced from PubChem (CID 89206001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).