N-[5-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]oxolane-2-carboxamide

C16H19N5O3S2 — CID 90526215

About N-[5-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]oxolane-2-carboxamide

N-[5-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]oxolane-2-carboxamide (PubChem CID 90526215) has the molecular formula C16H19N5O3S2 and a molecular weight of 393.49 g/mol. Its IUPAC name is N-[5-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]oxolane-2-carboxamide.

Molecular Properties

• Compound Name: N-[5-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]oxolane-2-carboxamide
• PubChem CID: 90526215
• Molecular Formula: C16H19N5O3S2
• Molecular Weight: 393.49 g/mol
• Exact Mass: 393.09
• IUPAC Name: N-[5-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]oxolane-2-carboxamide
• SMILES: O=C(CN1CCc2nc(NC(=O)C3CCCO3)sc2C1)Nc1nccs1
• InChI: InChI=1S/C16H19N5O3S2/c22-13(19-15-17-4-7-25-15)9-21-5-3-10-12(8-21)26-16(18-10)20-14(23)11-2-1-6-24-11/h4,7,11H,1-3,5-6,8-9H2,(H,17,19,22)(H,18,20,23)
• InChIKey: AMALEHUIIPONJP-UHFFFAOYSA-N
• XLogP: 1.71
• TPSA: 96.45 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	393.49
LogP ≤ 5	1.71
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-[5-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]oxolane-2-carboxamide?

The IUPAC name of N-[5-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]oxolane-2-carboxamide (CID 90526215) is N-[5-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]oxolane-2-carboxamide.

What is the SMILES notation for N-[5-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]oxolane-2-carboxamide?

The canonical SMILES for N-[5-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]oxolane-2-carboxamide is O=C(CN1CCc2nc(NC(=O)C3CCCO3)sc2C1)Nc1nccs1.

What is the InChIKey of N-[5-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]oxolane-2-carboxamide?

The InChIKey is AMALEHUIIPONJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5O3S2/c22-13(19-15-17-4-7-25-15)9-21-5-3-10-12(8-21)26-16(18-10)20-14(23)11-2-1-6-24-11/h4,7,11H,1-3,5-6,8-9H2,(H,17,19,22)(H,18,20,23).

What are the key properties of N-[5-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]oxolane-2-carboxamide?

N-[5-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]oxolane-2-carboxamide has a molecular weight of 393.49 g/mol, XLogP of 1.71, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]oxolane-2-carboxamide is sourced from PubChem (CID 90526215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).