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

C20H19N3O4S2 — CID 50832558

IUPACN-[5-(benzenesulfonyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-2-methoxybenzamide
SMILESCOc1ccccc1C(=O)Nc1nc2c(s1)CN(S(=O)(=O)c1ccccc1)CC2
InChIInChI=1S/C20H19N3O4S2/c1-27-17-10-6-5-9-15(17)19(24)22-20-21-16-11-12-23(13-18(16)28-20)29(25,26)14-7-3-2-4-8-14/h2-10H,11-13H2,1H3,(H,21,22,24)
InChIKeyMXBMQUPSKGJLFP-UHFFFAOYSA-N
MW429.52 g/mol
LogP3.15
Rot. Bonds5

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

N-[5-(benzenesulfonyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-2-methoxybenzamide (PubChem CID 50832558) has the molecular formula C20H19N3O4S2 and a molecular weight of 429.52 g/mol. Its IUPAC name is N-[5-(benzenesulfonyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-2-methoxybenzamide.

Molecular Properties

Compound NameN-[5-(benzenesulfonyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-2-methoxybenzamide
PubChem CID50832558
Molecular FormulaC20H19N3O4S2
Molecular Weight429.52 g/mol
Exact Mass429.08
IUPAC NameN-[5-(benzenesulfonyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-2-methoxybenzamide
SMILESCOc1ccccc1C(=O)Nc1nc2c(s1)CN(S(=O)(=O)c1ccccc1)CC2
InChIInChI=1S/C20H19N3O4S2/c1-27-17-10-6-5-9-15(17)19(24)22-20-21-16-11-12-23(13-18(16)28-20)29(25,26)14-7-3-2-4-8-14/h2-10H,11-13H2,1H3,(H,21,22,24)
InChIKeyMXBMQUPSKGJLFP-UHFFFAOYSA-N
XLogP3.15
TPSA88.60 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.52
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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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]-2-methoxybenzamide?
The IUPAC name of N-[5-(benzenesulfonyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-2-methoxybenzamide (CID 50832558) is N-[5-(benzenesulfonyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-2-methoxybenzamide.
What is the SMILES notation for N-[5-(benzenesulfonyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-2-methoxybenzamide?
The canonical SMILES for N-[5-(benzenesulfonyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-2-methoxybenzamide is COc1ccccc1C(=O)Nc1nc2c(s1)CN(S(=O)(=O)c1ccccc1)CC2.
What is the InChIKey of N-[5-(benzenesulfonyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-2-methoxybenzamide?
The InChIKey is MXBMQUPSKGJLFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O4S2/c1-27-17-10-6-5-9-15(17)19(24)22-20-21-16-11-12-23(13-18(16)28-20)29(25,26)14-7-3-2-4-8-14/h2-10H,11-13H2,1H3,(H,21,22,24).
What are the key properties of N-[5-(benzenesulfonyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-2-methoxybenzamide?
N-[5-(benzenesulfonyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-2-methoxybenzamide has a molecular weight of 429.52 g/mol, XLogP of 3.15, 5 rotatable bonds, 1 hydrogen bond donors, and 6 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]-2-methoxybenzamide is sourced from PubChem (CID 50832558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).