6-(3,4-difluorophenyl)-3-(2-piperidin-1-ylethyl)-2,7-dihydro-[1,3]thiazolo[4,5-d]pyrimidine-2,7-diamine

C18H24F2N6S — CID 91583193

IUPAC6-(3,4-difluorophenyl)-3-(2-piperidin-1-ylethyl)-2,7-dihydro-[1,3]thiazolo[4,5-d]pyrimidine-2,7-diamine
SMILESNC1SC2=C(N=CN(c3ccc(F)c(F)c3)C2N)N1CCN1CCCCC1
InChIInChI=1S/C18H24F2N6S/c19-13-5-4-12(10-14(13)20)26-11-23-17-15(16(26)21)27-18(22)25(17)9-8-24-6-2-1-3-7-24/h4-5,10-11,16,18H,1-3,6-9,21-22H2
InChIKeyIAGNPUDRPKETCV-UHFFFAOYSA-N
MW394.50 g/mol
LogP2.04
Rot. Bonds4

About 6-(3,4-difluorophenyl)-3-(2-piperidin-1-ylethyl)-2,7-dihydro-[1,3]thiazolo[4,5-d]pyrimidine-2,7-diamine

6-(3,4-difluorophenyl)-3-(2-piperidin-1-ylethyl)-2,7-dihydro-[1,3]thiazolo[4,5-d]pyrimidine-2,7-diamine (PubChem CID 91583193) has the molecular formula C18H24F2N6S and a molecular weight of 394.50 g/mol. Its IUPAC name is 6-(3,4-difluorophenyl)-3-(2-piperidin-1-ylethyl)-2,7-dihydro-[1,3]thiazolo[4,5-d]pyrimidine-2,7-diamine.

Molecular Properties

Compound Name6-(3,4-difluorophenyl)-3-(2-piperidin-1-ylethyl)-2,7-dihydro-[1,3]thiazolo[4,5-d]pyrimidine-2,7-diamine
PubChem CID91583193
Molecular FormulaC18H24F2N6S
Molecular Weight394.50 g/mol
Exact Mass394.18
IUPAC Name6-(3,4-difluorophenyl)-3-(2-piperidin-1-ylethyl)-2,7-dihydro-[1,3]thiazolo[4,5-d]pyrimidine-2,7-diamine
SMILESNC1SC2=C(N=CN(c3ccc(F)c(F)c3)C2N)N1CCN1CCCCC1
InChIInChI=1S/C18H24F2N6S/c19-13-5-4-12(10-14(13)20)26-11-23-17-15(16(26)21)27-18(22)25(17)9-8-24-6-2-1-3-7-24/h4-5,10-11,16,18H,1-3,6-9,21-22H2
InChIKeyIAGNPUDRPKETCV-UHFFFAOYSA-N
XLogP2.04
TPSA74.12 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.50
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 6-(3,4-difluorophenyl)-3-(2-piperidin-1-ylethyl)-2,7-dihydro-[1,3]thiazolo[4,5-d]pyrimidine-2,7-diamine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-(3,4-difluorophenyl)-3-(2-piperidin-1-ylethyl)-2,7-dihydro-[1,3]thiazolo[4,5-d]pyrimidine-2,7-diamine?
The IUPAC name of 6-(3,4-difluorophenyl)-3-(2-piperidin-1-ylethyl)-2,7-dihydro-[1,3]thiazolo[4,5-d]pyrimidine-2,7-diamine (CID 91583193) is 6-(3,4-difluorophenyl)-3-(2-piperidin-1-ylethyl)-2,7-dihydro-[1,3]thiazolo[4,5-d]pyrimidine-2,7-diamine.
What is the SMILES notation for 6-(3,4-difluorophenyl)-3-(2-piperidin-1-ylethyl)-2,7-dihydro-[1,3]thiazolo[4,5-d]pyrimidine-2,7-diamine?
The canonical SMILES for 6-(3,4-difluorophenyl)-3-(2-piperidin-1-ylethyl)-2,7-dihydro-[1,3]thiazolo[4,5-d]pyrimidine-2,7-diamine is NC1SC2=C(N=CN(c3ccc(F)c(F)c3)C2N)N1CCN1CCCCC1.
What is the InChIKey of 6-(3,4-difluorophenyl)-3-(2-piperidin-1-ylethyl)-2,7-dihydro-[1,3]thiazolo[4,5-d]pyrimidine-2,7-diamine?
The InChIKey is IAGNPUDRPKETCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24F2N6S/c19-13-5-4-12(10-14(13)20)26-11-23-17-15(16(26)21)27-18(22)25(17)9-8-24-6-2-1-3-7-24/h4-5,10-11,16,18H,1-3,6-9,21-22H2.
What are the key properties of 6-(3,4-difluorophenyl)-3-(2-piperidin-1-ylethyl)-2,7-dihydro-[1,3]thiazolo[4,5-d]pyrimidine-2,7-diamine?
6-(3,4-difluorophenyl)-3-(2-piperidin-1-ylethyl)-2,7-dihydro-[1,3]thiazolo[4,5-d]pyrimidine-2,7-diamine has a molecular weight of 394.50 g/mol, XLogP of 2.04, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,4-difluorophenyl)-3-(2-piperidin-1-ylethyl)-2,7-dihydro-[1,3]thiazolo[4,5-d]pyrimidine-2,7-diamine is sourced from PubChem (CID 91583193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).