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

C21H21N3O4S2 — CID 20975119

IUPACN-[5-(benzenesulfonyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-2-ethoxybenzamide
SMILESCCOc1ccccc1C(=O)Nc1nc2c(s1)CN(S(=O)(=O)c1ccccc1)CC2
InChIInChI=1S/C21H21N3O4S2/c1-2-28-18-11-7-6-10-16(18)20(25)23-21-22-17-12-13-24(14-19(17)29-21)30(26,27)15-8-4-3-5-9-15/h3-11H,2,12-14H2,1H3,(H,22,23,25)
InChIKeyWDUUMXPBFNTBGS-UHFFFAOYSA-N
MW443.55 g/mol
LogP3.54
Rot. Bonds6

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

N-[5-(benzenesulfonyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-2-ethoxybenzamide (PubChem CID 20975119) has the molecular formula C21H21N3O4S2 and a molecular weight of 443.55 g/mol. Its IUPAC name is N-[5-(benzenesulfonyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-2-ethoxybenzamide.

Molecular Properties

Compound NameN-[5-(benzenesulfonyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-2-ethoxybenzamide
PubChem CID20975119
Molecular FormulaC21H21N3O4S2
Molecular Weight443.55 g/mol
Exact Mass443.10
IUPAC NameN-[5-(benzenesulfonyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-2-ethoxybenzamide
SMILESCCOc1ccccc1C(=O)Nc1nc2c(s1)CN(S(=O)(=O)c1ccccc1)CC2
InChIInChI=1S/C21H21N3O4S2/c1-2-28-18-11-7-6-10-16(18)20(25)23-21-22-17-12-13-24(14-19(17)29-21)30(26,27)15-8-4-3-5-9-15/h3-11H,2,12-14H2,1H3,(H,22,23,25)
InChIKeyWDUUMXPBFNTBGS-UHFFFAOYSA-N
XLogP3.54
TPSA88.60 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.55
LogP ≤ 53.54
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-ethoxybenzamide?
The IUPAC name of N-[5-(benzenesulfonyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-2-ethoxybenzamide (CID 20975119) is N-[5-(benzenesulfonyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-2-ethoxybenzamide.
What is the SMILES notation for N-[5-(benzenesulfonyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-2-ethoxybenzamide?
The canonical SMILES for N-[5-(benzenesulfonyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-2-ethoxybenzamide is CCOc1ccccc1C(=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-ethoxybenzamide?
The InChIKey is WDUUMXPBFNTBGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O4S2/c1-2-28-18-11-7-6-10-16(18)20(25)23-21-22-17-12-13-24(14-19(17)29-21)30(26,27)15-8-4-3-5-9-15/h3-11H,2,12-14H2,1H3,(H,22,23,25).
What are the key properties of N-[5-(benzenesulfonyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-2-ethoxybenzamide?
N-[5-(benzenesulfonyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-2-ethoxybenzamide has a molecular weight of 443.55 g/mol, XLogP of 3.54, 6 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-ethoxybenzamide is sourced from PubChem (CID 20975119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).