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

C19H17N3O6S2 — CID 56765100

IUPACN-[5-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]furan-2-carboxamide
SMILESO=C(Nc1nc2c(s1)CN(S(=O)(=O)c1ccc3c(c1)OCCO3)CC2)c1ccco1
InChIInChI=1S/C19H17N3O6S2/c23-18(15-2-1-7-26-15)21-19-20-13-5-6-22(11-17(13)29-19)30(24,25)12-3-4-14-16(10-12)28-9-8-27-14/h1-4,7,10H,5-6,8-9,11H2,(H,20,21,23)
InChIKeyXIDLCHLHZXINRE-UHFFFAOYSA-N
MW447.49 g/mol
LogP2.51
Rot. Bonds4

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

N-[5-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]furan-2-carboxamide (PubChem CID 56765100) has the molecular formula C19H17N3O6S2 and a molecular weight of 447.49 g/mol. Its IUPAC name is N-[5-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[5-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]furan-2-carboxamide
PubChem CID56765100
Molecular FormulaC19H17N3O6S2
Molecular Weight447.49 g/mol
Exact Mass447.06
IUPAC NameN-[5-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]furan-2-carboxamide
SMILESO=C(Nc1nc2c(s1)CN(S(=O)(=O)c1ccc3c(c1)OCCO3)CC2)c1ccco1
InChIInChI=1S/C19H17N3O6S2/c23-18(15-2-1-7-26-15)21-19-20-13-5-6-22(11-17(13)29-19)30(24,25)12-3-4-14-16(10-12)28-9-8-27-14/h1-4,7,10H,5-6,8-9,11H2,(H,20,21,23)
InChIKeyXIDLCHLHZXINRE-UHFFFAOYSA-N
XLogP2.51
TPSA110.97 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.49
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze N-[5-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]furan-2-carboxamide with MolForge

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Related Compounds

1-[5-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-3-propan-2-ylurea
CID 71788168
N-[5-(4-methoxy-3-methylphenyl)sulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]furan-2-carboxamide
CID 90526783
N-[5-(2,4-dichloro-5-methylphenyl)sulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]furan-2-carboxamide
CID 90526817
N-(5-naphthalen-2-ylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)pyridine-2-carboxamide
CID 90528682
N-[5-(4-methylphenyl)sulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]furan-3-carboxamide
CID 50832404
N-[5-(4-ethylphenyl)sulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]furan-3-carboxamide
CID 90531892
N-[5-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]pyridine-2-carboxamide
CID 90528722
N-(5-propan-2-ylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-1,3-benzodioxole-5-carboxamide
CID 90532709
N-[5-(4-ethylphenyl)sulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]acetamide
CID 90525428
N-(5-propyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)furan-2-carboxamide
CID 44976263
N-[5-(3-nitrophenyl)sulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]acetamide
CID 90525406
N-[5-(3-chloro-4-fluorophenyl)sulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]thiophene-2-carboxamide
CID 90527277

Frequently Asked Questions

What is the IUPAC name of N-[5-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]furan-2-carboxamide?
The IUPAC name of N-[5-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]furan-2-carboxamide (CID 56765100) is N-[5-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]furan-2-carboxamide.
What is the SMILES notation for N-[5-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]furan-2-carboxamide?
The canonical SMILES for N-[5-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]furan-2-carboxamide is O=C(Nc1nc2c(s1)CN(S(=O)(=O)c1ccc3c(c1)OCCO3)CC2)c1ccco1.
What is the InChIKey of N-[5-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]furan-2-carboxamide?
The InChIKey is XIDLCHLHZXINRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O6S2/c23-18(15-2-1-7-26-15)21-19-20-13-5-6-22(11-17(13)29-19)30(24,25)12-3-4-14-16(10-12)28-9-8-27-14/h1-4,7,10H,5-6,8-9,11H2,(H,20,21,23).
What are the key properties of N-[5-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]furan-2-carboxamide?
N-[5-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]furan-2-carboxamide has a molecular weight of 447.49 g/mol, XLogP of 2.51, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]furan-2-carboxamide is sourced from PubChem (CID 56765100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).