N-(2-aminoethyl)formamide;2,2-difluoropropanoic acid;7-methoxy-N-methyl-[1,3]thiazolo[5,4-d]pyrimidin-2-amine

C13H20F2N6O4S — CID 143582243

IUPACN-(2-aminoethyl)formamide;2,2-difluoropropanoic acid;7-methoxy-N-methyl-[1,3]thiazolo[5,4-d]pyrimidin-2-amine
SMILESCC(F)(F)C(=O)O.CNc1nc2c(OC)ncnc2s1.NCCNC=O
InChIInChI=1S/C7H8N4OS.C3H4F2O2.C3H8N2O/c1-8-7-11-4-5(12-2)9-3-10-6(4)13-7;1-3(4,5)2(6)7;4-1-2-5-3-6/h3H,1-2H3,(H,8,11);1H3,(H,6,7);3H,1-2,4H2,(H,5,6)
InChIKeyPTLHCRIACGDOHV-UHFFFAOYSA-N
MW394.40 g/mol
LogP0.55
Rot. Bonds6

About N-(2-aminoethyl)formamide;2,2-difluoropropanoic acid;7-methoxy-N-methyl-[1,3]thiazolo[5,4-d]pyrimidin-2-amine

N-(2-aminoethyl)formamide;2,2-difluoropropanoic acid;7-methoxy-N-methyl-[1,3]thiazolo[5,4-d]pyrimidin-2-amine (PubChem CID 143582243) has the molecular formula C13H20F2N6O4S and a molecular weight of 394.40 g/mol. Its IUPAC name is N-(2-aminoethyl)formamide;2,2-difluoropropanoic acid;7-methoxy-N-methyl-[1,3]thiazolo[5,4-d]pyrimidin-2-amine.

Molecular Properties

Compound NameN-(2-aminoethyl)formamide;2,2-difluoropropanoic acid;7-methoxy-N-methyl-[1,3]thiazolo[5,4-d]pyrimidin-2-amine
PubChem CID143582243
Molecular FormulaC13H20F2N6O4S
Molecular Weight394.40 g/mol
Exact Mass394.12
IUPAC NameN-(2-aminoethyl)formamide;2,2-difluoropropanoic acid;7-methoxy-N-methyl-[1,3]thiazolo[5,4-d]pyrimidin-2-amine
SMILESCC(F)(F)C(=O)O.CNc1nc2c(OC)ncnc2s1.NCCNC=O
InChIInChI=1S/C7H8N4OS.C3H4F2O2.C3H8N2O/c1-8-7-11-4-5(12-2)9-3-10-6(4)13-7;1-3(4,5)2(6)7;4-1-2-5-3-6/h3H,1-2H3,(H,8,11);1H3,(H,6,7);3H,1-2,4H2,(H,5,6)
InChIKeyPTLHCRIACGDOHV-UHFFFAOYSA-N
XLogP0.55
TPSA152.35 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.40
LogP ≤ 50.55
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)formamide;2,2-difluoropropanoic acid;7-methoxy-N-methyl-[1,3]thiazolo[5,4-d]pyrimidin-2-amine?
The IUPAC name of N-(2-aminoethyl)formamide;2,2-difluoropropanoic acid;7-methoxy-N-methyl-[1,3]thiazolo[5,4-d]pyrimidin-2-amine (CID 143582243) is N-(2-aminoethyl)formamide;2,2-difluoropropanoic acid;7-methoxy-N-methyl-[1,3]thiazolo[5,4-d]pyrimidin-2-amine.
What is the SMILES notation for N-(2-aminoethyl)formamide;2,2-difluoropropanoic acid;7-methoxy-N-methyl-[1,3]thiazolo[5,4-d]pyrimidin-2-amine?
The canonical SMILES for N-(2-aminoethyl)formamide;2,2-difluoropropanoic acid;7-methoxy-N-methyl-[1,3]thiazolo[5,4-d]pyrimidin-2-amine is CC(F)(F)C(=O)O.CNc1nc2c(OC)ncnc2s1.NCCNC=O.
What is the InChIKey of N-(2-aminoethyl)formamide;2,2-difluoropropanoic acid;7-methoxy-N-methyl-[1,3]thiazolo[5,4-d]pyrimidin-2-amine?
The InChIKey is PTLHCRIACGDOHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N4OS.C3H4F2O2.C3H8N2O/c1-8-7-11-4-5(12-2)9-3-10-6(4)13-7;1-3(4,5)2(6)7;4-1-2-5-3-6/h3H,1-2H3,(H,8,11);1H3,(H,6,7);3H,1-2,4H2,(H,5,6).
What are the key properties of N-(2-aminoethyl)formamide;2,2-difluoropropanoic acid;7-methoxy-N-methyl-[1,3]thiazolo[5,4-d]pyrimidin-2-amine?
N-(2-aminoethyl)formamide;2,2-difluoropropanoic acid;7-methoxy-N-methyl-[1,3]thiazolo[5,4-d]pyrimidin-2-amine has a molecular weight of 394.40 g/mol, XLogP of 0.55, 6 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)formamide;2,2-difluoropropanoic acid;7-methoxy-N-methyl-[1,3]thiazolo[5,4-d]pyrimidin-2-amine is sourced from PubChem (CID 143582243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).