1-(3-phenyl-[1,2]thiazolo[4,5-d]pyrimidin-7-yl)piperidine-4-carboxamide

C17H17N5OS — CID 648835

IUPAC1-(3-phenyl-[1,2]thiazolo[4,5-d]pyrimidin-7-yl)piperidine-4-carboxamide
SMILESNC(=O)C1CCN(c2ncnc3c(-c4ccccc4)nsc23)CC1
InChIInChI=1S/C17H17N5OS/c18-16(23)12-6-8-22(9-7-12)17-15-14(19-10-20-17)13(21-24-15)11-4-2-1-3-5-11/h1-5,10,12H,6-9H2,(H2,18,23)
InChIKeyKQPZPLRYYQJYHQ-UHFFFAOYSA-N
MW339.42 g/mol
LogP2.45
Rot. Bonds3

About 1-(3-phenyl-[1,2]thiazolo[4,5-d]pyrimidin-7-yl)piperidine-4-carboxamide

1-(3-phenyl-[1,2]thiazolo[4,5-d]pyrimidin-7-yl)piperidine-4-carboxamide (PubChem CID 648835) has the molecular formula C17H17N5OS and a molecular weight of 339.42 g/mol. Its IUPAC name is 1-(3-phenyl-[1,2]thiazolo[4,5-d]pyrimidin-7-yl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(3-phenyl-[1,2]thiazolo[4,5-d]pyrimidin-7-yl)piperidine-4-carboxamide
PubChem CID648835
Molecular FormulaC17H17N5OS
Molecular Weight339.42 g/mol
Exact Mass339.12
IUPAC Name1-(3-phenyl-[1,2]thiazolo[4,5-d]pyrimidin-7-yl)piperidine-4-carboxamide
SMILESNC(=O)C1CCN(c2ncnc3c(-c4ccccc4)nsc23)CC1
InChIInChI=1S/C17H17N5OS/c18-16(23)12-6-8-22(9-7-12)17-15-14(19-10-20-17)13(21-24-15)11-4-2-1-3-5-11/h1-5,10,12H,6-9H2,(H2,18,23)
InChIKeyKQPZPLRYYQJYHQ-UHFFFAOYSA-N
XLogP2.45
TPSA85.00 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.42
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(3-phenyl-[1,2]thiazolo[4,5-d]pyrimidin-7-yl)piperidine-4-carboxamide?
The IUPAC name of 1-(3-phenyl-[1,2]thiazolo[4,5-d]pyrimidin-7-yl)piperidine-4-carboxamide (CID 648835) is 1-(3-phenyl-[1,2]thiazolo[4,5-d]pyrimidin-7-yl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(3-phenyl-[1,2]thiazolo[4,5-d]pyrimidin-7-yl)piperidine-4-carboxamide?
The canonical SMILES for 1-(3-phenyl-[1,2]thiazolo[4,5-d]pyrimidin-7-yl)piperidine-4-carboxamide is NC(=O)C1CCN(c2ncnc3c(-c4ccccc4)nsc23)CC1.
What is the InChIKey of 1-(3-phenyl-[1,2]thiazolo[4,5-d]pyrimidin-7-yl)piperidine-4-carboxamide?
The InChIKey is KQPZPLRYYQJYHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N5OS/c18-16(23)12-6-8-22(9-7-12)17-15-14(19-10-20-17)13(21-24-15)11-4-2-1-3-5-11/h1-5,10,12H,6-9H2,(H2,18,23).
What are the key properties of 1-(3-phenyl-[1,2]thiazolo[4,5-d]pyrimidin-7-yl)piperidine-4-carboxamide?
1-(3-phenyl-[1,2]thiazolo[4,5-d]pyrimidin-7-yl)piperidine-4-carboxamide has a molecular weight of 339.42 g/mol, XLogP of 2.45, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-phenyl-[1,2]thiazolo[4,5-d]pyrimidin-7-yl)piperidine-4-carboxamide is sourced from PubChem (CID 648835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).