N-[5-(1-methylsulfonylpiperidine-4-carbonyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]furan-3-carboxamide

C18H22N4O5S2 — CID 71788295

IUPACN-[5-(1-methylsulfonylpiperidine-4-carbonyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]furan-3-carboxamide
SMILESCS(=O)(=O)N1CCC(C(=O)N2CCc3nc(NC(=O)c4ccoc4)sc3C2)CC1
InChIInChI=1S/C18H22N4O5S2/c1-29(25,26)22-7-2-12(3-8-22)17(24)21-6-4-14-15(10-21)28-18(19-14)20-16(23)13-5-9-27-11-13/h5,9,11-12H,2-4,6-8,10H2,1H3,(H,19,20,23)
InChIKeyHMSGAZKJSMDVPI-UHFFFAOYSA-N
MW438.53 g/mol
LogP1.54
Rot. Bonds4

About N-[5-(1-methylsulfonylpiperidine-4-carbonyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]furan-3-carboxamide

N-[5-(1-methylsulfonylpiperidine-4-carbonyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]furan-3-carboxamide (PubChem CID 71788295) has the molecular formula C18H22N4O5S2 and a molecular weight of 438.53 g/mol. Its IUPAC name is N-[5-(1-methylsulfonylpiperidine-4-carbonyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]furan-3-carboxamide.

Molecular Properties

Compound NameN-[5-(1-methylsulfonylpiperidine-4-carbonyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]furan-3-carboxamide
PubChem CID71788295
Molecular FormulaC18H22N4O5S2
Molecular Weight438.53 g/mol
Exact Mass438.10
IUPAC NameN-[5-(1-methylsulfonylpiperidine-4-carbonyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]furan-3-carboxamide
SMILESCS(=O)(=O)N1CCC(C(=O)N2CCc3nc(NC(=O)c4ccoc4)sc3C2)CC1
InChIInChI=1S/C18H22N4O5S2/c1-29(25,26)22-7-2-12(3-8-22)17(24)21-6-4-14-15(10-21)28-18(19-14)20-16(23)13-5-9-27-11-13/h5,9,11-12H,2-4,6-8,10H2,1H3,(H,19,20,23)
InChIKeyHMSGAZKJSMDVPI-UHFFFAOYSA-N
XLogP1.54
TPSA112.82 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.53
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[5-(1-methylsulfonylpiperidine-4-carbonyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]furan-3-carboxamide?
The IUPAC name of N-[5-(1-methylsulfonylpiperidine-4-carbonyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]furan-3-carboxamide (CID 71788295) is N-[5-(1-methylsulfonylpiperidine-4-carbonyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]furan-3-carboxamide.
What is the SMILES notation for N-[5-(1-methylsulfonylpiperidine-4-carbonyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]furan-3-carboxamide?
The canonical SMILES for N-[5-(1-methylsulfonylpiperidine-4-carbonyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]furan-3-carboxamide is CS(=O)(=O)N1CCC(C(=O)N2CCc3nc(NC(=O)c4ccoc4)sc3C2)CC1.
What is the InChIKey of N-[5-(1-methylsulfonylpiperidine-4-carbonyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]furan-3-carboxamide?
The InChIKey is HMSGAZKJSMDVPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O5S2/c1-29(25,26)22-7-2-12(3-8-22)17(24)21-6-4-14-15(10-21)28-18(19-14)20-16(23)13-5-9-27-11-13/h5,9,11-12H,2-4,6-8,10H2,1H3,(H,19,20,23).
What are the key properties of N-[5-(1-methylsulfonylpiperidine-4-carbonyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]furan-3-carboxamide?
N-[5-(1-methylsulfonylpiperidine-4-carbonyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]furan-3-carboxamide has a molecular weight of 438.53 g/mol, XLogP of 1.54, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(1-methylsulfonylpiperidine-4-carbonyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]furan-3-carboxamide is sourced from PubChem (CID 71788295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).