N-[(1R,2R)-2-aminocyclohexyl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide;2,2,2-trifluoroacetic acid

C16H23F3N4O3S — CID 18442875

IUPACN-[(1R,2R)-2-aminocyclohexyl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide;2,2,2-trifluoroacetic acid
SMILESCN1CCc2nc(C(=O)N[C@@H]3CCCC[C@H]3N)sc2C1.O=C(O)C(F)(F)F
InChIInChI=1S/C14H22N4OS.C2HF3O2/c1-18-7-6-11-12(8-18)20-14(17-11)13(19)16-10-5-3-2-4-9(10)15;3-2(4,5)1(6)7/h9-10H,2-8,15H2,1H3,(H,16,19);(H,6,7)/t9-,10-;/m1./s1
InChIKeyYQVUWDIZCZZVPF-DHTOPLTISA-N
MW408.45 g/mol
LogP1.76
Rot. Bonds2

About N-[(1R,2R)-2-aminocyclohexyl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide;2,2,2-trifluoroacetic acid

N-[(1R,2R)-2-aminocyclohexyl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide;2,2,2-trifluoroacetic acid (PubChem CID 18442875) has the molecular formula C16H23F3N4O3S and a molecular weight of 408.45 g/mol. Its IUPAC name is N-[(1R,2R)-2-aminocyclohexyl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound NameN-[(1R,2R)-2-aminocyclohexyl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide;2,2,2-trifluoroacetic acid
PubChem CID18442875
Molecular FormulaC16H23F3N4O3S
Molecular Weight408.45 g/mol
Exact Mass408.14
IUPAC NameN-[(1R,2R)-2-aminocyclohexyl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide;2,2,2-trifluoroacetic acid
SMILESCN1CCc2nc(C(=O)N[C@@H]3CCCC[C@H]3N)sc2C1.O=C(O)C(F)(F)F
InChIInChI=1S/C14H22N4OS.C2HF3O2/c1-18-7-6-11-12(8-18)20-14(17-11)13(19)16-10-5-3-2-4-9(10)15;3-2(4,5)1(6)7/h9-10H,2-8,15H2,1H3,(H,16,19);(H,6,7)/t9-,10-;/m1./s1
InChIKeyYQVUWDIZCZZVPF-DHTOPLTISA-N
XLogP1.76
TPSA108.55 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.45
LogP ≤ 51.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze N-[(1R,2R)-2-aminocyclohexyl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide;2,2,2-trifluoroacetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

CID 18442855
CID 18442855
CID 58893830
CID 58893830
CID 67188729
CID 67188729
CID 67190597
CID 67190597
CID 68451975
CID 68451975
CID 68452193
CID 68452193
CID 69252539
CID 69252539
CID 69483710
CID 69483710
CID 70322003
CID 70322003
CID 72455620
CID 72455620
CID 155092599
CID 155092599
CID 158704843
CID 158704843

Frequently Asked Questions

What is the IUPAC name of N-[(1R,2R)-2-aminocyclohexyl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide;2,2,2-trifluoroacetic acid?
The IUPAC name of N-[(1R,2R)-2-aminocyclohexyl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide;2,2,2-trifluoroacetic acid (CID 18442875) is N-[(1R,2R)-2-aminocyclohexyl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide;2,2,2-trifluoroacetic acid.
What is the SMILES notation for N-[(1R,2R)-2-aminocyclohexyl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide;2,2,2-trifluoroacetic acid?
The canonical SMILES for N-[(1R,2R)-2-aminocyclohexyl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide;2,2,2-trifluoroacetic acid is CN1CCc2nc(C(=O)N[C@@H]3CCCC[C@H]3N)sc2C1.O=C(O)C(F)(F)F.
What is the InChIKey of N-[(1R,2R)-2-aminocyclohexyl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide;2,2,2-trifluoroacetic acid?
The InChIKey is YQVUWDIZCZZVPF-DHTOPLTISA-N. The full InChI is InChI=1S/C14H22N4OS.C2HF3O2/c1-18-7-6-11-12(8-18)20-14(17-11)13(19)16-10-5-3-2-4-9(10)15;3-2(4,5)1(6)7/h9-10H,2-8,15H2,1H3,(H,16,19);(H,6,7)/t9-,10-;/m1./s1.
What are the key properties of N-[(1R,2R)-2-aminocyclohexyl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide;2,2,2-trifluoroacetic acid?
N-[(1R,2R)-2-aminocyclohexyl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide;2,2,2-trifluoroacetic acid has a molecular weight of 408.45 g/mol, XLogP of 1.76, 2 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2R)-2-aminocyclohexyl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 18442875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).