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

C14H16F3N5O4S — CID 161265043

IUPACN-(7-methoxy-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)piperidine-1-carboxamide;2,2,2-trifluoroacetic acid
SMILESCOc1ncnc2sc(NC(=O)N3CCCCC3)nc12.O=C(O)C(F)(F)F
InChIInChI=1S/C12H15N5O2S.C2HF3O2/c1-19-9-8-10(14-7-13-9)20-11(15-8)16-12(18)17-5-3-2-4-6-17;3-2(4,5)1(6)7/h7H,2-6H2,1H3,(H,15,16,18);(H,6,7)
InChIKeyALLCGGMUHLYMNR-UHFFFAOYSA-N
MW407.37 g/mol
LogP2.75
Rot. Bonds2

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

N-(7-methoxy-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)piperidine-1-carboxamide;2,2,2-trifluoroacetic acid (PubChem CID 161265043) has the molecular formula C14H16F3N5O4S and a molecular weight of 407.37 g/mol. Its IUPAC name is N-(7-methoxy-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)piperidine-1-carboxamide;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound NameN-(7-methoxy-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)piperidine-1-carboxamide;2,2,2-trifluoroacetic acid
PubChem CID161265043
Molecular FormulaC14H16F3N5O4S
Molecular Weight407.37 g/mol
Exact Mass407.09
IUPAC NameN-(7-methoxy-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)piperidine-1-carboxamide;2,2,2-trifluoroacetic acid
SMILESCOc1ncnc2sc(NC(=O)N3CCCCC3)nc12.O=C(O)C(F)(F)F
InChIInChI=1S/C12H15N5O2S.C2HF3O2/c1-19-9-8-10(14-7-13-9)20-11(15-8)16-12(18)17-5-3-2-4-6-17;3-2(4,5)1(6)7/h7H,2-6H2,1H3,(H,15,16,18);(H,6,7)
InChIKeyALLCGGMUHLYMNR-UHFFFAOYSA-N
XLogP2.75
TPSA117.54 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.37
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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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
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
(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-amino-N-(7-methoxy-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)piperidine-1-carboxamide;2,2,2-trifluoroacetic acid
CID 172753440
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
(S)-3-amino-pyrrolidine-1-carboxylic acid (7-methoxy-thiazolo[5,4-d]pyrimidin-2-yl)-amide
CID 59011943

Frequently Asked Questions

What is the IUPAC name of N-(7-methoxy-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)piperidine-1-carboxamide;2,2,2-trifluoroacetic acid?
The IUPAC name of N-(7-methoxy-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)piperidine-1-carboxamide;2,2,2-trifluoroacetic acid (CID 161265043) is 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 N-(7-methoxy-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)piperidine-1-carboxamide;2,2,2-trifluoroacetic acid?
The canonical SMILES for N-(7-methoxy-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)piperidine-1-carboxamide;2,2,2-trifluoroacetic acid is COc1ncnc2sc(NC(=O)N3CCCCC3)nc12.O=C(O)C(F)(F)F.
What is the InChIKey of N-(7-methoxy-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)piperidine-1-carboxamide;2,2,2-trifluoroacetic acid?
The InChIKey is ALLCGGMUHLYMNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5O2S.C2HF3O2/c1-19-9-8-10(14-7-13-9)20-11(15-8)16-12(18)17-5-3-2-4-6-17;3-2(4,5)1(6)7/h7H,2-6H2,1H3,(H,15,16,18);(H,6,7).
What are the key properties of N-(7-methoxy-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)piperidine-1-carboxamide;2,2,2-trifluoroacetic acid?
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 407.37 g/mol, XLogP of 2.75, 2 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 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 161265043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).