1-ethyl-N-[1-[2-[4-(trifluoromethyl)anilino]-1,3-thiazol-5-yl]ethyl]imidazo[4,5-c]pyridine-6-carboxamide

C21H19F3N6OS — CID 46841875

IUPAC1-ethyl-N-[1-[2-[4-(trifluoromethyl)anilino]-1,3-thiazol-5-yl]ethyl]imidazo[4,5-c]pyridine-6-carboxamide
SMILESCCn1cnc2cnc(C(=O)NC(C)c3cnc(Nc4ccc(C(F)(F)F)cc4)s3)cc21
InChIInChI=1S/C21H19F3N6OS/c1-3-30-11-27-16-9-25-15(8-17(16)30)19(31)28-12(2)18-10-26-20(32-18)29-14-6-4-13(5-7-14)21(22,23)24/h4-12H,3H2,1-2H3,(H,26,29)(H,28,31)
InChIKeyHXLZILWXDOPGHG-UHFFFAOYSA-N
MW460.49 g/mol
LogP5.16
Rot. Bonds6

About 1-ethyl-N-[1-[2-[4-(trifluoromethyl)anilino]-1,3-thiazol-5-yl]ethyl]imidazo[4,5-c]pyridine-6-carboxamide

1-ethyl-N-[1-[2-[4-(trifluoromethyl)anilino]-1,3-thiazol-5-yl]ethyl]imidazo[4,5-c]pyridine-6-carboxamide (PubChem CID 46841875) has the molecular formula C21H19F3N6OS and a molecular weight of 460.49 g/mol. Its IUPAC name is 1-ethyl-N-[1-[2-[4-(trifluoromethyl)anilino]-1,3-thiazol-5-yl]ethyl]imidazo[4,5-c]pyridine-6-carboxamide.

Molecular Properties

Compound Name1-ethyl-N-[1-[2-[4-(trifluoromethyl)anilino]-1,3-thiazol-5-yl]ethyl]imidazo[4,5-c]pyridine-6-carboxamide
PubChem CID46841875
Molecular FormulaC21H19F3N6OS
Molecular Weight460.49 g/mol
Exact Mass460.13
IUPAC Name1-ethyl-N-[1-[2-[4-(trifluoromethyl)anilino]-1,3-thiazol-5-yl]ethyl]imidazo[4,5-c]pyridine-6-carboxamide
SMILESCCn1cnc2cnc(C(=O)NC(C)c3cnc(Nc4ccc(C(F)(F)F)cc4)s3)cc21
InChIInChI=1S/C21H19F3N6OS/c1-3-30-11-27-16-9-25-15(8-17(16)30)19(31)28-12(2)18-10-26-20(32-18)29-14-6-4-13(5-7-14)21(22,23)24/h4-12H,3H2,1-2H3,(H,26,29)(H,28,31)
InChIKeyHXLZILWXDOPGHG-UHFFFAOYSA-N
XLogP5.16
TPSA84.73 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500460.49
LogP ≤ 55.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-N-[1-[2-[4-(trifluoromethyl)anilino]-1,3-thiazol-5-yl]ethyl]imidazo[4,5-c]pyridine-6-carboxamide?
The IUPAC name of 1-ethyl-N-[1-[2-[4-(trifluoromethyl)anilino]-1,3-thiazol-5-yl]ethyl]imidazo[4,5-c]pyridine-6-carboxamide (CID 46841875) is 1-ethyl-N-[1-[2-[4-(trifluoromethyl)anilino]-1,3-thiazol-5-yl]ethyl]imidazo[4,5-c]pyridine-6-carboxamide.
What is the SMILES notation for 1-ethyl-N-[1-[2-[4-(trifluoromethyl)anilino]-1,3-thiazol-5-yl]ethyl]imidazo[4,5-c]pyridine-6-carboxamide?
The canonical SMILES for 1-ethyl-N-[1-[2-[4-(trifluoromethyl)anilino]-1,3-thiazol-5-yl]ethyl]imidazo[4,5-c]pyridine-6-carboxamide is CCn1cnc2cnc(C(=O)NC(C)c3cnc(Nc4ccc(C(F)(F)F)cc4)s3)cc21.
What is the InChIKey of 1-ethyl-N-[1-[2-[4-(trifluoromethyl)anilino]-1,3-thiazol-5-yl]ethyl]imidazo[4,5-c]pyridine-6-carboxamide?
The InChIKey is HXLZILWXDOPGHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19F3N6OS/c1-3-30-11-27-16-9-25-15(8-17(16)30)19(31)28-12(2)18-10-26-20(32-18)29-14-6-4-13(5-7-14)21(22,23)24/h4-12H,3H2,1-2H3,(H,26,29)(H,28,31).
What are the key properties of 1-ethyl-N-[1-[2-[4-(trifluoromethyl)anilino]-1,3-thiazol-5-yl]ethyl]imidazo[4,5-c]pyridine-6-carboxamide?
1-ethyl-N-[1-[2-[4-(trifluoromethyl)anilino]-1,3-thiazol-5-yl]ethyl]imidazo[4,5-c]pyridine-6-carboxamide has a molecular weight of 460.49 g/mol, XLogP of 5.16, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-N-[1-[2-[4-(trifluoromethyl)anilino]-1,3-thiazol-5-yl]ethyl]imidazo[4,5-c]pyridine-6-carboxamide is sourced from PubChem (CID 46841875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).