2-methoxy-N-[5-(4-methylphenyl)sulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]benzamide

C21H21N3O4S2 — CID 20975106

IUPAC2-methoxy-N-[5-(4-methylphenyl)sulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]benzamide
SMILESCOc1ccccc1C(=O)Nc1nc2c(s1)CN(S(=O)(=O)c1ccc(C)cc1)CC2
InChIInChI=1S/C21H21N3O4S2/c1-14-7-9-15(10-8-14)30(26,27)24-12-11-17-19(13-24)29-21(22-17)23-20(25)16-5-3-4-6-18(16)28-2/h3-10H,11-13H2,1-2H3,(H,22,23,25)
InChIKeyBNMCMIHDBVPDBY-UHFFFAOYSA-N
MW443.55 g/mol
LogP3.46
Rot. Bonds5

About 2-methoxy-N-[5-(4-methylphenyl)sulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]benzamide

2-methoxy-N-[5-(4-methylphenyl)sulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]benzamide (PubChem CID 20975106) has the molecular formula C21H21N3O4S2 and a molecular weight of 443.55 g/mol. Its IUPAC name is 2-methoxy-N-[5-(4-methylphenyl)sulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]benzamide.

Molecular Properties

Compound Name2-methoxy-N-[5-(4-methylphenyl)sulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]benzamide
PubChem CID20975106
Molecular FormulaC21H21N3O4S2
Molecular Weight443.55 g/mol
Exact Mass443.10
IUPAC Name2-methoxy-N-[5-(4-methylphenyl)sulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]benzamide
SMILESCOc1ccccc1C(=O)Nc1nc2c(s1)CN(S(=O)(=O)c1ccc(C)cc1)CC2
InChIInChI=1S/C21H21N3O4S2/c1-14-7-9-15(10-8-14)30(26,27)24-12-11-17-19(13-24)29-21(22-17)23-20(25)16-5-3-4-6-18(16)28-2/h3-10H,11-13H2,1-2H3,(H,22,23,25)
InChIKeyBNMCMIHDBVPDBY-UHFFFAOYSA-N
XLogP3.46
TPSA88.60 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.55
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[5-(4-methylphenyl)sulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]benzamide?
The IUPAC name of 2-methoxy-N-[5-(4-methylphenyl)sulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]benzamide (CID 20975106) is 2-methoxy-N-[5-(4-methylphenyl)sulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]benzamide.
What is the SMILES notation for 2-methoxy-N-[5-(4-methylphenyl)sulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]benzamide?
The canonical SMILES for 2-methoxy-N-[5-(4-methylphenyl)sulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]benzamide is COc1ccccc1C(=O)Nc1nc2c(s1)CN(S(=O)(=O)c1ccc(C)cc1)CC2.
What is the InChIKey of 2-methoxy-N-[5-(4-methylphenyl)sulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]benzamide?
The InChIKey is BNMCMIHDBVPDBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O4S2/c1-14-7-9-15(10-8-14)30(26,27)24-12-11-17-19(13-24)29-21(22-17)23-20(25)16-5-3-4-6-18(16)28-2/h3-10H,11-13H2,1-2H3,(H,22,23,25).
What are the key properties of 2-methoxy-N-[5-(4-methylphenyl)sulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]benzamide?
2-methoxy-N-[5-(4-methylphenyl)sulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]benzamide has a molecular weight of 443.55 g/mol, XLogP of 3.46, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[5-(4-methylphenyl)sulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]benzamide is sourced from PubChem (CID 20975106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).