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;hydrochloride

C16H24ClF3N4O3S — CID 69252539

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;hydrochloride
SMILESCN1CCc2nc(C(=O)N[C@@H]3CCCC[C@H]3N)sc2C1.Cl.O=C(O)C(F)(F)F
InChIInChI=1S/C14H22N4OS.C2HF3O2.ClH/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);1H/t9-,10-;;/m1../s1
InChIKeyAYPRIGCZTGSRJB-HSTMFJOWSA-N
MW444.91 g/mol
LogP2.19
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;hydrochloride

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;hydrochloride (PubChem CID 69252539) has the molecular formula C16H24ClF3N4O3S and a molecular weight of 444.91 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;hydrochloride.

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;hydrochloride
PubChem CID69252539
Molecular FormulaC16H24ClF3N4O3S
Molecular Weight444.91 g/mol
Exact Mass444.12
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;hydrochloride
SMILESCN1CCc2nc(C(=O)N[C@@H]3CCCC[C@H]3N)sc2C1.Cl.O=C(O)C(F)(F)F
InChIInChI=1S/C14H22N4OS.C2HF3O2.ClH/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);1H/t9-,10-;;/m1../s1
InChIKeyAYPRIGCZTGSRJB-HSTMFJOWSA-N
XLogP2.19
TPSA108.55 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.91
LogP ≤ 52.19
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;hydrochloride with MolForge

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Related Compounds

(+/-)-cis-N-[(5-methyl-4,5,6,7-tetrahydrothiazolo-[5,4-c]pyridin-2-yl)carbonyl]-1,2-cyclohexanediamine trifluoroacetate
CID 18442855
(+/-)-trans-N-[(5-methyl-4,5,6,7-tetrahydrothiazolo-[5,4-c]pyridin-2-yl)carbonyl]-1,2-cyclohexanediamine trifluoroacetate
CID 18442875
N-[(1S,2R)-2-aminocyclohexyl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide;2,2,2-trifluoroacetic acid
CID 67188729
N-[(1S,2S)-2-aminocyclohexyl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide;2,2,2-trifluoroacetic acid
CID 67190597
N-(2-aminocyclohexyl)-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide;2,2,2-trifluoroacetic acid
CID 68451975
N-[(1R,2S)-2-aminocyclohexyl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide;2,2,2-trifluoroacetic acid;hydrochloride
CID 68452193
[3-[(3R)-3-fluoropyrrolidin-1-yl]-2-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)amino]-3-oxopropyl]carbamic acid
CID 69483710
4,5,6,7-Tetrahydro-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide;2,2,2-trifluoroacetic acid
CID 155092599
4-Methyl-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide;2,2,2-trifluoroacetic acid
CID 158704843
(4R)-2-chloro-4-methyl-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine;2,2,2-trifluoroacetic acid
CID 176351698
(6R)-2-ethyl-6-methyl-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine;2,2,2-trifluoroacetic acid
CID 176351865
(4R)-2-ethyl-4-methyl-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine;2,2,2-trifluoroacetic acid
CID 176352133

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;hydrochloride?
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;hydrochloride (CID 69252539) 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;hydrochloride.
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;hydrochloride?
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;hydrochloride is CN1CCc2nc(C(=O)N[C@@H]3CCCC[C@H]3N)sc2C1.Cl.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;hydrochloride?
The InChIKey is AYPRIGCZTGSRJB-HSTMFJOWSA-N. The full InChI is InChI=1S/C14H22N4OS.C2HF3O2.ClH/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);1H/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;hydrochloride?
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;hydrochloride has a molecular weight of 444.91 g/mol, XLogP of 2.19, 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;hydrochloride is sourced from PubChem (CID 69252539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).