2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-c]pyridin-6-amine

C16H23N5S — CID 45482682

IUPAC2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-c]pyridin-6-amine
SMILESNc1cc2sc(N3CCC(N4CCCCC4)CC3)nc2cn1
InChIInChI=1S/C16H23N5S/c17-15-10-14-13(11-18-15)19-16(22-14)21-8-4-12(5-9-21)20-6-2-1-3-7-20/h10-12H,1-9H2,(H2,17,18)
InChIKeyKNOLRZUQOTZHDT-UHFFFAOYSA-N
MW317.46 g/mol
LogP2.73
Rot. Bonds2

About 2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-c]pyridin-6-amine

2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-c]pyridin-6-amine (PubChem CID 45482682) has the molecular formula C16H23N5S and a molecular weight of 317.46 g/mol. Its IUPAC name is 2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-c]pyridin-6-amine.

Molecular Properties

Compound Name2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-c]pyridin-6-amine
PubChem CID45482682
Molecular FormulaC16H23N5S
Molecular Weight317.46 g/mol
Exact Mass317.17
IUPAC Name2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-c]pyridin-6-amine
SMILESNc1cc2sc(N3CCC(N4CCCCC4)CC3)nc2cn1
InChIInChI=1S/C16H23N5S/c17-15-10-14-13(11-18-15)19-16(22-14)21-8-4-12(5-9-21)20-6-2-1-3-7-20/h10-12H,1-9H2,(H2,17,18)
InChIKeyKNOLRZUQOTZHDT-UHFFFAOYSA-N
XLogP2.73
TPSA58.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.46
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N,4,12-trimethyl-3-thia-1,7,10-triazatricyclo[7.3.0.0^{2,6}]dodeca-2(6),4,7,9,11-pentaen-8-amine
CID 20823920
2-(1,4''-Bipiperidin-1''-yl)thiazolo[4,5-b]pyridine
CID 45482707
2-(1,4''-Bipiperidin-1''-yl)thiazolo[4,5-c]pyridine
CID 45482781
S-21007
CID 9863146
8-(4-Prop-2-enylpiperazin-1-yl)-5-thia-1,7-diazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaene
CID 10756517
2-[[3-[4-(Pyridin-2-yl)-1-piperazinyl]propyl]thio]benzothiazole
CID 24949693
2-(1,4''-Bipiperidin-1''-yl)-6-(6-fluoropyridin-3-yl)thiazolo[4,5-c]pyridine
CID 45482756
N-cyclopentyl-4-methyl-5-[2-[(5-piperazin-1-yl-2-pyridinyl)amino]pyrimidin-4-yl]-1,3-thiazol-2-amine
CID 126534285
N-cyclopentyl-5-[5-fluoro-2-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]pyrimidin-4-yl]-4-methyl-1,3-thiazol-2-amine
CID 135296339
Thiazolo(5,4-b)pyridin-2-amine, N-ethyl-
CID 2747540
N-(2-aminoethyl)-12-methyl-4-(pyridin-2-yl)-3-thia-1,7,10-triazatricyclo[7.3.0.0^{2,6}]dodeca-2(6),4,7,9,11-pentaen-8-amine
CID 25093432
2-[4-(4-Pyrimidin-2-ylpiperazin-1-yl)butyl]-1,3-benzothiazole
CID 60165418

Frequently Asked Questions

What is the IUPAC name of 2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-c]pyridin-6-amine?
The IUPAC name of 2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-c]pyridin-6-amine (CID 45482682) is 2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-c]pyridin-6-amine.
What is the SMILES notation for 2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-c]pyridin-6-amine?
The canonical SMILES for 2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-c]pyridin-6-amine is Nc1cc2sc(N3CCC(N4CCCCC4)CC3)nc2cn1.
What is the InChIKey of 2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-c]pyridin-6-amine?
The InChIKey is KNOLRZUQOTZHDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5S/c17-15-10-14-13(11-18-15)19-16(22-14)21-8-4-12(5-9-21)20-6-2-1-3-7-20/h10-12H,1-9H2,(H2,17,18).
What are the key properties of 2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-c]pyridin-6-amine?
2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-c]pyridin-6-amine has a molecular weight of 317.46 g/mol, XLogP of 2.73, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-c]pyridin-6-amine is sourced from PubChem (CID 45482682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).