N-[5-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]oxolane-2-carboxamide

C16H20N4O5S2 — CID 71788030

IUPACN-[5-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]oxolane-2-carboxamide
SMILESCc1noc(C)c1S(=O)(=O)N1CCc2nc(NC(=O)C3CCCO3)sc2C1
InChIInChI=1S/C16H20N4O5S2/c1-9-14(10(2)25-19-9)27(22,23)20-6-5-11-13(8-20)26-16(17-11)18-15(21)12-4-3-7-24-12/h12H,3-8H2,1-2H3,(H,17,18,21)
InChIKeyTUHYZDXYEVPSQY-UHFFFAOYSA-N
MW412.49 g/mol
LogP1.61
Rot. Bonds4

About N-[5-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]oxolane-2-carboxamide

N-[5-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]oxolane-2-carboxamide (PubChem CID 71788030) has the molecular formula C16H20N4O5S2 and a molecular weight of 412.49 g/mol. Its IUPAC name is N-[5-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]oxolane-2-carboxamide.

Molecular Properties

Compound NameN-[5-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]oxolane-2-carboxamide
PubChem CID71788030
Molecular FormulaC16H20N4O5S2
Molecular Weight412.49 g/mol
Exact Mass412.09
IUPAC NameN-[5-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]oxolane-2-carboxamide
SMILESCc1noc(C)c1S(=O)(=O)N1CCc2nc(NC(=O)C3CCCO3)sc2C1
InChIInChI=1S/C16H20N4O5S2/c1-9-14(10(2)25-19-9)27(22,23)20-6-5-11-13(8-20)26-16(17-11)18-15(21)12-4-3-7-24-12/h12H,3-8H2,1-2H3,(H,17,18,21)
InChIKeyTUHYZDXYEVPSQY-UHFFFAOYSA-N
XLogP1.61
TPSA114.63 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.49
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze N-[5-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]oxolane-2-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[5-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]oxolane-2-carboxamide?
The IUPAC name of N-[5-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]oxolane-2-carboxamide (CID 71788030) is N-[5-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]oxolane-2-carboxamide.
What is the SMILES notation for N-[5-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]oxolane-2-carboxamide?
The canonical SMILES for N-[5-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]oxolane-2-carboxamide is Cc1noc(C)c1S(=O)(=O)N1CCc2nc(NC(=O)C3CCCO3)sc2C1.
What is the InChIKey of N-[5-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]oxolane-2-carboxamide?
The InChIKey is TUHYZDXYEVPSQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O5S2/c1-9-14(10(2)25-19-9)27(22,23)20-6-5-11-13(8-20)26-16(17-11)18-15(21)12-4-3-7-24-12/h12H,3-8H2,1-2H3,(H,17,18,21).
What are the key properties of N-[5-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]oxolane-2-carboxamide?
N-[5-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]oxolane-2-carboxamide has a molecular weight of 412.49 g/mol, XLogP of 1.61, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]oxolane-2-carboxamide is sourced from PubChem (CID 71788030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).