N-[2-[(3S)-3-phosphanylpiperidin-1-yl]-[1,3]thiazolo[5,4-c]pyridin-4-yl]cyclopropanecarboxamide

C15H19N4OPS — CID 163814049

IUPACN-[2-[(3S)-3-phosphanylpiperidin-1-yl]-[1,3]thiazolo[5,4-c]pyridin-4-yl]cyclopropanecarboxamide
SMILESO=C(Nc1nccc2nc(N3CCC[C@H](P)C3)sc12)C1CC1
InChIInChI=1S/C15H19N4OPS/c20-14(9-3-4-9)18-13-12-11(5-6-16-13)17-15(22-12)19-7-1-2-10(21)8-19/h5-6,9-10H,1-4,7-8,21H2,(H,16,18,20)/t10-/m0/s1
InChIKeyNPTXZZUIWYLHNJ-JTQLQIEISA-N
MW334.39 g/mol
LogP2.88
Rot. Bonds3

About N-[2-[(3S)-3-phosphanylpiperidin-1-yl]-[1,3]thiazolo[5,4-c]pyridin-4-yl]cyclopropanecarboxamide

N-[2-[(3S)-3-phosphanylpiperidin-1-yl]-[1,3]thiazolo[5,4-c]pyridin-4-yl]cyclopropanecarboxamide (PubChem CID 163814049) has the molecular formula C15H19N4OPS and a molecular weight of 334.39 g/mol. Its IUPAC name is N-[2-[(3S)-3-phosphanylpiperidin-1-yl]-[1,3]thiazolo[5,4-c]pyridin-4-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[2-[(3S)-3-phosphanylpiperidin-1-yl]-[1,3]thiazolo[5,4-c]pyridin-4-yl]cyclopropanecarboxamide
PubChem CID163814049
Molecular FormulaC15H19N4OPS
Molecular Weight334.39 g/mol
Exact Mass334.10
IUPAC NameN-[2-[(3S)-3-phosphanylpiperidin-1-yl]-[1,3]thiazolo[5,4-c]pyridin-4-yl]cyclopropanecarboxamide
SMILESO=C(Nc1nccc2nc(N3CCC[C@H](P)C3)sc12)C1CC1
InChIInChI=1S/C15H19N4OPS/c20-14(9-3-4-9)18-13-12-11(5-6-16-13)17-15(22-12)19-7-1-2-10(21)8-19/h5-6,9-10H,1-4,7-8,21H2,(H,16,18,20)/t10-/m0/s1
InChIKeyNPTXZZUIWYLHNJ-JTQLQIEISA-N
XLogP2.88
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.39
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-[(3S)-3-phosphanylpiperidin-1-yl]-[1,3]thiazolo[5,4-c]pyridin-4-yl]cyclopropanecarboxamide?
The IUPAC name of N-[2-[(3S)-3-phosphanylpiperidin-1-yl]-[1,3]thiazolo[5,4-c]pyridin-4-yl]cyclopropanecarboxamide (CID 163814049) is N-[2-[(3S)-3-phosphanylpiperidin-1-yl]-[1,3]thiazolo[5,4-c]pyridin-4-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[2-[(3S)-3-phosphanylpiperidin-1-yl]-[1,3]thiazolo[5,4-c]pyridin-4-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[2-[(3S)-3-phosphanylpiperidin-1-yl]-[1,3]thiazolo[5,4-c]pyridin-4-yl]cyclopropanecarboxamide is O=C(Nc1nccc2nc(N3CCC[C@H](P)C3)sc12)C1CC1.
What is the InChIKey of N-[2-[(3S)-3-phosphanylpiperidin-1-yl]-[1,3]thiazolo[5,4-c]pyridin-4-yl]cyclopropanecarboxamide?
The InChIKey is NPTXZZUIWYLHNJ-JTQLQIEISA-N. The full InChI is InChI=1S/C15H19N4OPS/c20-14(9-3-4-9)18-13-12-11(5-6-16-13)17-15(22-12)19-7-1-2-10(21)8-19/h5-6,9-10H,1-4,7-8,21H2,(H,16,18,20)/t10-/m0/s1.
What are the key properties of N-[2-[(3S)-3-phosphanylpiperidin-1-yl]-[1,3]thiazolo[5,4-c]pyridin-4-yl]cyclopropanecarboxamide?
N-[2-[(3S)-3-phosphanylpiperidin-1-yl]-[1,3]thiazolo[5,4-c]pyridin-4-yl]cyclopropanecarboxamide has a molecular weight of 334.39 g/mol, XLogP of 2.88, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(3S)-3-phosphanylpiperidin-1-yl]-[1,3]thiazolo[5,4-c]pyridin-4-yl]cyclopropanecarboxamide is sourced from PubChem (CID 163814049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).