N-[(3S)-1,1-dioxothiolan-3-yl]-5-phenyl-2-piperidin-1-yl-[1,3]thiazolo[4,5-b]pyridine-7-carboxamide

C22H24N4O3S2 — CID 27711100

IUPACN-[(3S)-1,1-dioxothiolan-3-yl]-5-phenyl-2-piperidin-1-yl-[1,3]thiazolo[4,5-b]pyridine-7-carboxamide
SMILESO=C(N[C@H]1CCS(=O)(=O)C1)c1cc(-c2ccccc2)nc2nc(N3CCCCC3)sc12
InChIInChI=1S/C22H24N4O3S2/c27-21(23-16-9-12-31(28,29)14-16)17-13-18(15-7-3-1-4-8-15)24-20-19(17)30-22(25-20)26-10-5-2-6-11-26/h1,3-4,7-8,13,16H,2,5-6,9-12,14H2,(H,23,27)/t16-/m0/s1
InChIKeyATATYKNSCNQLTN-INIZCTEOSA-N
MW456.59 g/mol
LogP3.27
Rot. Bonds4

About N-[(3S)-1,1-dioxothiolan-3-yl]-5-phenyl-2-piperidin-1-yl-[1,3]thiazolo[4,5-b]pyridine-7-carboxamide

N-[(3S)-1,1-dioxothiolan-3-yl]-5-phenyl-2-piperidin-1-yl-[1,3]thiazolo[4,5-b]pyridine-7-carboxamide (PubChem CID 27711100) has the molecular formula C22H24N4O3S2 and a molecular weight of 456.59 g/mol. Its IUPAC name is N-[(3S)-1,1-dioxothiolan-3-yl]-5-phenyl-2-piperidin-1-yl-[1,3]thiazolo[4,5-b]pyridine-7-carboxamide.

Molecular Properties

Compound NameN-[(3S)-1,1-dioxothiolan-3-yl]-5-phenyl-2-piperidin-1-yl-[1,3]thiazolo[4,5-b]pyridine-7-carboxamide
PubChem CID27711100
Molecular FormulaC22H24N4O3S2
Molecular Weight456.59 g/mol
Exact Mass456.13
IUPAC NameN-[(3S)-1,1-dioxothiolan-3-yl]-5-phenyl-2-piperidin-1-yl-[1,3]thiazolo[4,5-b]pyridine-7-carboxamide
SMILESO=C(N[C@H]1CCS(=O)(=O)C1)c1cc(-c2ccccc2)nc2nc(N3CCCCC3)sc12
InChIInChI=1S/C22H24N4O3S2/c27-21(23-16-9-12-31(28,29)14-16)17-13-18(15-7-3-1-4-8-15)24-20-19(17)30-22(25-20)26-10-5-2-6-11-26/h1,3-4,7-8,13,16H,2,5-6,9-12,14H2,(H,23,27)/t16-/m0/s1
InChIKeyATATYKNSCNQLTN-INIZCTEOSA-N
XLogP3.27
TPSA92.26 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.59
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[(3S)-1,1-dioxothiolan-3-yl]-5-phenyl-2-piperidin-1-yl-[1,3]thiazolo[4,5-b]pyridine-7-carboxamide with MolForge

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Related Compounds

2-(azepan-1-yl)-N-(1,1-dioxothiolan-3-yl)-6-phenylpyrimidin-4-amine
CID 112937542
[2-(2-methoxyethylamino)-2-oxoethyl] 5-phenyl-2-piperidin-1-yl-[1,3]thiazolo[4,5-b]pyridine-7-carboxylate
CID 46608984
N-(1,1-dioxothiolan-3-yl)-2-oxo-4-phenyl-1H-pyrimidine-6-carboxamide
CID 110332099
N-[(3R)-1,1-dioxothiolan-3-yl]-1-methyl-3-phenylpyrazole-5-carboxamide
CID 96556888
2-piperidin-1-yl-5-thiophen-2-yl-[1,3]thiazolo[4,5-b]pyridine-7-carbohydrazide
CID 4780170
N-(1,1-dioxothiolan-3-yl)-1-(6-phenylpyrimidin-4-yl)azetidine-3-carboxamide
CID 121018193
N-[(3R)-1,1-dioxothiolan-3-yl]benzamide
CID 40634625
N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]-2-(4-methylpiperidin-1-yl)-5-phenyl-[1,3]thiazolo[4,5-b]pyridine-7-carboxamide
CID 70941253
5-(azepan-1-yl)-N-(1,1-dioxothiolan-3-yl)pyridine-3-carboxamide
CID 109237170
N-[(3S)-1,1-dioxothiolan-3-yl]-4-methyl-5-phenylthiophene-2-carboxamide
CID 125418912
2-N-cyclohexyl-4-N-(1,1-dioxothiolan-3-yl)-6-phenylpyrimidine-2,4-diamine
CID 112934694
2-bromo-N-[(3S)-1,1-dioxothiolan-3-yl]benzamide
CID 7259720

Frequently Asked Questions

What is the IUPAC name of N-[(3S)-1,1-dioxothiolan-3-yl]-5-phenyl-2-piperidin-1-yl-[1,3]thiazolo[4,5-b]pyridine-7-carboxamide?
The IUPAC name of N-[(3S)-1,1-dioxothiolan-3-yl]-5-phenyl-2-piperidin-1-yl-[1,3]thiazolo[4,5-b]pyridine-7-carboxamide (CID 27711100) is N-[(3S)-1,1-dioxothiolan-3-yl]-5-phenyl-2-piperidin-1-yl-[1,3]thiazolo[4,5-b]pyridine-7-carboxamide.
What is the SMILES notation for N-[(3S)-1,1-dioxothiolan-3-yl]-5-phenyl-2-piperidin-1-yl-[1,3]thiazolo[4,5-b]pyridine-7-carboxamide?
The canonical SMILES for N-[(3S)-1,1-dioxothiolan-3-yl]-5-phenyl-2-piperidin-1-yl-[1,3]thiazolo[4,5-b]pyridine-7-carboxamide is O=C(N[C@H]1CCS(=O)(=O)C1)c1cc(-c2ccccc2)nc2nc(N3CCCCC3)sc12.
What is the InChIKey of N-[(3S)-1,1-dioxothiolan-3-yl]-5-phenyl-2-piperidin-1-yl-[1,3]thiazolo[4,5-b]pyridine-7-carboxamide?
The InChIKey is ATATYKNSCNQLTN-INIZCTEOSA-N. The full InChI is InChI=1S/C22H24N4O3S2/c27-21(23-16-9-12-31(28,29)14-16)17-13-18(15-7-3-1-4-8-15)24-20-19(17)30-22(25-20)26-10-5-2-6-11-26/h1,3-4,7-8,13,16H,2,5-6,9-12,14H2,(H,23,27)/t16-/m0/s1.
What are the key properties of N-[(3S)-1,1-dioxothiolan-3-yl]-5-phenyl-2-piperidin-1-yl-[1,3]thiazolo[4,5-b]pyridine-7-carboxamide?
N-[(3S)-1,1-dioxothiolan-3-yl]-5-phenyl-2-piperidin-1-yl-[1,3]thiazolo[4,5-b]pyridine-7-carboxamide has a molecular weight of 456.59 g/mol, XLogP of 3.27, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-1,1-dioxothiolan-3-yl]-5-phenyl-2-piperidin-1-yl-[1,3]thiazolo[4,5-b]pyridine-7-carboxamide is sourced from PubChem (CID 27711100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).