4-amino-N-(7-methoxy-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)piperidine-1-carboxamide;2,2,2-trifluoroacetic acid

C14H17F3N6O4S — CID 172753440

IUPAC4-amino-N-(7-methoxy-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)piperidine-1-carboxamide;2,2,2-trifluoroacetic acid
SMILESCOc1ncnc2sc(NC(=O)N3CCC(N)CC3)nc12.O=C(O)C(F)(F)F
InChIInChI=1S/C12H16N6O2S.C2HF3O2/c1-20-9-8-10(15-6-14-9)21-11(16-8)17-12(19)18-4-2-7(13)3-5-18;3-2(4,5)1(6)7/h6-7H,2-5,13H2,1H3,(H,16,17,19);(H,6,7)
InChIKeyKRSYMVOGDKJGDM-UHFFFAOYSA-N
MW422.39 g/mol
LogP1.68
Rot. Bonds2

About 4-amino-N-(7-methoxy-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)piperidine-1-carboxamide;2,2,2-trifluoroacetic acid

4-amino-N-(7-methoxy-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)piperidine-1-carboxamide;2,2,2-trifluoroacetic acid (PubChem CID 172753440) has the molecular formula C14H17F3N6O4S and a molecular weight of 422.39 g/mol. Its IUPAC name is 4-amino-N-(7-methoxy-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)piperidine-1-carboxamide;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name4-amino-N-(7-methoxy-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)piperidine-1-carboxamide;2,2,2-trifluoroacetic acid
PubChem CID172753440
Molecular FormulaC14H17F3N6O4S
Molecular Weight422.39 g/mol
Exact Mass422.10
IUPAC Name4-amino-N-(7-methoxy-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)piperidine-1-carboxamide;2,2,2-trifluoroacetic acid
SMILESCOc1ncnc2sc(NC(=O)N3CCC(N)CC3)nc12.O=C(O)C(F)(F)F
InChIInChI=1S/C12H16N6O2S.C2HF3O2/c1-20-9-8-10(15-6-14-9)21-11(16-8)17-12(19)18-4-2-7(13)3-5-18;3-2(4,5)1(6)7/h6-7H,2-5,13H2,1H3,(H,16,17,19);(H,6,7)
InChIKeyKRSYMVOGDKJGDM-UHFFFAOYSA-N
XLogP1.68
TPSA143.56 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.39
LogP ≤ 51.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze 4-amino-N-(7-methoxy-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)piperidine-1-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

Piperazine-1-carboxylic acid (7-methoxy-thiazolo[5,4-d]pyrimidin-2-yl)-amide trifluoroacetate salt
CID 86616508
7-Methoxy-[1,3]thiazolo[5,4-d]pyrimidin-2-amine;2,2,2-trifluoroacetic acid
CID 87456009
6-(4-hydroxypiperidin-4-yl)-N-(7-methoxy-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)-2-(trifluoromethyl)-2H-pyridine-1-carboxamide
CID 87614659
N-(2-aminoethyl)formamide;2,2-difluoropropanoic acid;7-methoxy-N-methyl-[1,3]thiazolo[5,4-d]pyrimidin-2-amine
CID 143582243
4-aminopiperidine-1-carbaldehyde;7-methoxy-N-methyl-[1,3]thiazolo[5,4-d]pyrimidin-2-amine;3,3,3-trifluoroprop-1-en-2-ol
CID 143582255
(3S)-3-amino-N-(7-methoxy-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)pyrrolidine-1-carboxamide;tert-butyl N-[(3S)-1-[(7-methoxy-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)carbamoyl]pyrrolidin-3-yl]carbamate;2,2,2-trifluoroacetic acid
CID 158009970
(3R)-3-amino-N-(7-methoxy-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)pyrrolidine-1-carboxamide;tert-butyl N-[(3R)-1-[(7-methoxy-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)carbamoyl]pyrrolidin-3-yl]carbamate;2,2,2-trifluoroacetic acid
CID 158009971
4-amino-N-(7-methoxy-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)piperidine-1-carboxamide;tert-butyl N-[1-[(7-methoxy-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)carbamoyl]piperidin-4-yl]carbamate;2,2,2-trifluoroacetic acid
CID 159850542
N-(7-methoxy-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)piperidine-1-carboxamide;2,2,2-trifluoroacetic acid
CID 161265043
(3S)-3-amino-N-(7-methoxy-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)pyrrolidine-1-carboxamide;2,2,2-trifluoroacetic acid
CID 172735374
4-(7-Methoxy-thiazolo[5,4-d]pyrimidin-2-ylcarbamoyl)-piperazine-1-carboxylic acid tert-butyl ester
CID 59011930
[1-(7-methoxy-thiazolo[5,4-d]pyrimidin-2-ylcarbamoyl)-pyrrolidin-3(R)-yl]-carbamic acid tert-butyl ester
CID 59011933

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(7-methoxy-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)piperidine-1-carboxamide;2,2,2-trifluoroacetic acid?
The IUPAC name of 4-amino-N-(7-methoxy-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)piperidine-1-carboxamide;2,2,2-trifluoroacetic acid (CID 172753440) is 4-amino-N-(7-methoxy-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)piperidine-1-carboxamide;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 4-amino-N-(7-methoxy-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)piperidine-1-carboxamide;2,2,2-trifluoroacetic acid?
The canonical SMILES for 4-amino-N-(7-methoxy-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)piperidine-1-carboxamide;2,2,2-trifluoroacetic acid is COc1ncnc2sc(NC(=O)N3CCC(N)CC3)nc12.O=C(O)C(F)(F)F.
What is the InChIKey of 4-amino-N-(7-methoxy-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)piperidine-1-carboxamide;2,2,2-trifluoroacetic acid?
The InChIKey is KRSYMVOGDKJGDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N6O2S.C2HF3O2/c1-20-9-8-10(15-6-14-9)21-11(16-8)17-12(19)18-4-2-7(13)3-5-18;3-2(4,5)1(6)7/h6-7H,2-5,13H2,1H3,(H,16,17,19);(H,6,7).
What are the key properties of 4-amino-N-(7-methoxy-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)piperidine-1-carboxamide;2,2,2-trifluoroacetic acid?
4-amino-N-(7-methoxy-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)piperidine-1-carboxamide;2,2,2-trifluoroacetic acid has a molecular weight of 422.39 g/mol, XLogP of 1.68, 2 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(7-methoxy-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)piperidine-1-carboxamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 172753440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).