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

C17H15N5O3S2 — CID 50832441

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

N-[5-(benzenesulfonyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]pyrazine-2-carboxamide (PubChem CID 50832441) has the molecular formula C17H15N5O3S2 and a molecular weight of 401.47 g/mol. Its IUPAC name is N-[5-(benzenesulfonyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]pyrazine-2-carboxamide.

Molecular Properties

• Compound Name: N-[5-(benzenesulfonyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]pyrazine-2-carboxamide
• PubChem CID: 50832441
• Molecular Formula: C17H15N5O3S2
• Molecular Weight: 401.47 g/mol
• Exact Mass: 401.06
• IUPAC Name: N-[5-(benzenesulfonyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]pyrazine-2-carboxamide
• SMILES: O=C(Nc1nc2c(s1)CN(S(=O)(=O)c1ccccc1)CC2)c1cnccn1
• InChI: InChI=1S/C17H15N5O3S2/c23-16(14-10-18-7-8-19-14)21-17-20-13-6-9-22(11-15(13)26-17)27(24,25)12-4-2-1-3-5-12/h1-5,7-8,10H,6,9,11H2,(H,20,21,23)
• InChIKey: XVRUFKUPXHZXPG-UHFFFAOYSA-N
• XLogP: 1.93
• TPSA: 105.15 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	401.47
LogP ≤ 5	1.93
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of N-[5-(benzenesulfonyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]pyrazine-2-carboxamide (CID 50832441) is N-[5-(benzenesulfonyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]pyrazine-2-carboxamide.

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

The canonical SMILES for N-[5-(benzenesulfonyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]pyrazine-2-carboxamide is O=C(Nc1nc2c(s1)CN(S(=O)(=O)c1ccccc1)CC2)c1cnccn1.

What is the InChIKey of N-[5-(benzenesulfonyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]pyrazine-2-carboxamide?

The InChIKey is XVRUFKUPXHZXPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N5O3S2/c23-16(14-10-18-7-8-19-14)21-17-20-13-6-9-22(11-15(13)26-17)27(24,25)12-4-2-1-3-5-12/h1-5,7-8,10H,6,9,11H2,(H,20,21,23).

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

N-[5-(benzenesulfonyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]pyrazine-2-carboxamide has a molecular weight of 401.47 g/mol, XLogP of 1.93, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-(benzenesulfonyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]pyrazine-2-carboxamide is sourced from PubChem (CID 50832441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).