N-(2-azabicyclo[2.2.1]heptan-6-yl)-5-[2-[(2,2,2-trifluoroacetyl)amino]phenyl]-1,3-thiazole-2-carboxamide

C18H17F3N4O2S — CID 22350277

IUPACN-(2-azabicyclo[2.2.1]heptan-6-yl)-5-[2-[(2,2,2-trifluoroacetyl)amino]phenyl]-1,3-thiazole-2-carboxamide
SMILESO=C(NC1CC2CNC1C2)c1ncc(-c2ccccc2NC(=O)C(F)(F)F)s1
InChIInChI=1S/C18H17F3N4O2S/c19-18(20,21)17(27)25-11-4-2-1-3-10(11)14-8-23-16(28-14)15(26)24-13-6-9-5-12(13)22-7-9/h1-4,8-9,12-13,22H,5-7H2,(H,24,26)(H,25,27)
InChIKeyUGPKLIYLQBJTJX-UHFFFAOYSA-N
MW410.42 g/mol
LogP2.79
Rot. Bonds4

About N-(2-azabicyclo[2.2.1]heptan-6-yl)-5-[2-[(2,2,2-trifluoroacetyl)amino]phenyl]-1,3-thiazole-2-carboxamide

N-(2-azabicyclo[2.2.1]heptan-6-yl)-5-[2-[(2,2,2-trifluoroacetyl)amino]phenyl]-1,3-thiazole-2-carboxamide (PubChem CID 22350277) has the molecular formula C18H17F3N4O2S and a molecular weight of 410.42 g/mol. Its IUPAC name is N-(2-azabicyclo[2.2.1]heptan-6-yl)-5-[2-[(2,2,2-trifluoroacetyl)amino]phenyl]-1,3-thiazole-2-carboxamide.

Molecular Properties

Compound NameN-(2-azabicyclo[2.2.1]heptan-6-yl)-5-[2-[(2,2,2-trifluoroacetyl)amino]phenyl]-1,3-thiazole-2-carboxamide
PubChem CID22350277
Molecular FormulaC18H17F3N4O2S
Molecular Weight410.42 g/mol
Exact Mass410.10
IUPAC NameN-(2-azabicyclo[2.2.1]heptan-6-yl)-5-[2-[(2,2,2-trifluoroacetyl)amino]phenyl]-1,3-thiazole-2-carboxamide
SMILESO=C(NC1CC2CNC1C2)c1ncc(-c2ccccc2NC(=O)C(F)(F)F)s1
InChIInChI=1S/C18H17F3N4O2S/c19-18(20,21)17(27)25-11-4-2-1-3-10(11)14-8-23-16(28-14)15(26)24-13-6-9-5-12(13)22-7-9/h1-4,8-9,12-13,22H,5-7H2,(H,24,26)(H,25,27)
InChIKeyUGPKLIYLQBJTJX-UHFFFAOYSA-N
XLogP2.79
TPSA83.12 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.42
LogP ≤ 52.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-azabicyclo[2.2.1]heptan-6-yl)-5-[2-[(2,2,2-trifluoroacetyl)amino]phenyl]-1,3-thiazole-2-carboxamide?
The IUPAC name of N-(2-azabicyclo[2.2.1]heptan-6-yl)-5-[2-[(2,2,2-trifluoroacetyl)amino]phenyl]-1,3-thiazole-2-carboxamide (CID 22350277) is N-(2-azabicyclo[2.2.1]heptan-6-yl)-5-[2-[(2,2,2-trifluoroacetyl)amino]phenyl]-1,3-thiazole-2-carboxamide.
What is the SMILES notation for N-(2-azabicyclo[2.2.1]heptan-6-yl)-5-[2-[(2,2,2-trifluoroacetyl)amino]phenyl]-1,3-thiazole-2-carboxamide?
The canonical SMILES for N-(2-azabicyclo[2.2.1]heptan-6-yl)-5-[2-[(2,2,2-trifluoroacetyl)amino]phenyl]-1,3-thiazole-2-carboxamide is O=C(NC1CC2CNC1C2)c1ncc(-c2ccccc2NC(=O)C(F)(F)F)s1.
What is the InChIKey of N-(2-azabicyclo[2.2.1]heptan-6-yl)-5-[2-[(2,2,2-trifluoroacetyl)amino]phenyl]-1,3-thiazole-2-carboxamide?
The InChIKey is UGPKLIYLQBJTJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F3N4O2S/c19-18(20,21)17(27)25-11-4-2-1-3-10(11)14-8-23-16(28-14)15(26)24-13-6-9-5-12(13)22-7-9/h1-4,8-9,12-13,22H,5-7H2,(H,24,26)(H,25,27).
What are the key properties of N-(2-azabicyclo[2.2.1]heptan-6-yl)-5-[2-[(2,2,2-trifluoroacetyl)amino]phenyl]-1,3-thiazole-2-carboxamide?
N-(2-azabicyclo[2.2.1]heptan-6-yl)-5-[2-[(2,2,2-trifluoroacetyl)amino]phenyl]-1,3-thiazole-2-carboxamide has a molecular weight of 410.42 g/mol, XLogP of 2.79, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-azabicyclo[2.2.1]heptan-6-yl)-5-[2-[(2,2,2-trifluoroacetyl)amino]phenyl]-1,3-thiazole-2-carboxamide is sourced from PubChem (CID 22350277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).