2-(2,3-dihydro-1,4-benzodioxin-3-yl)-N-(furan-2-ylmethyl)-1,3-thiazole-4-carboxamide

C17H14N2O4S — CID 2821636

IUPAC2-(2,3-dihydro-1,4-benzodioxin-3-yl)-N-(furan-2-ylmethyl)-1,3-thiazole-4-carboxamide
SMILESO=C(NCc1ccco1)c1csc(C2COc3ccccc3O2)n1
InChIInChI=1S/C17H14N2O4S/c20-16(18-8-11-4-3-7-21-11)12-10-24-17(19-12)15-9-22-13-5-1-2-6-14(13)23-15/h1-7,10,15H,8-9H2,(H,18,20)
InChIKeyHBFIGRZWORPLGB-UHFFFAOYSA-N
MW342.38 g/mol
LogP3.18
Rot. Bonds4

About 2-(2,3-dihydro-1,4-benzodioxin-3-yl)-N-(furan-2-ylmethyl)-1,3-thiazole-4-carboxamide

2-(2,3-dihydro-1,4-benzodioxin-3-yl)-N-(furan-2-ylmethyl)-1,3-thiazole-4-carboxamide (PubChem CID 2821636) has the molecular formula C17H14N2O4S and a molecular weight of 342.38 g/mol. Its IUPAC name is 2-(2,3-dihydro-1,4-benzodioxin-3-yl)-N-(furan-2-ylmethyl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-(2,3-dihydro-1,4-benzodioxin-3-yl)-N-(furan-2-ylmethyl)-1,3-thiazole-4-carboxamide
PubChem CID2821636
Molecular FormulaC17H14N2O4S
Molecular Weight342.38 g/mol
Exact Mass342.07
IUPAC Name2-(2,3-dihydro-1,4-benzodioxin-3-yl)-N-(furan-2-ylmethyl)-1,3-thiazole-4-carboxamide
SMILESO=C(NCc1ccco1)c1csc(C2COc3ccccc3O2)n1
InChIInChI=1S/C17H14N2O4S/c20-16(18-8-11-4-3-7-21-11)12-10-24-17(19-12)15-9-22-13-5-1-2-6-14(13)23-15/h1-7,10,15H,8-9H2,(H,18,20)
InChIKeyHBFIGRZWORPLGB-UHFFFAOYSA-N
XLogP3.18
TPSA73.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.38
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(2,3-dihydro-1,4-benzodioxin-3-yl)-N-(3-sulfanylpropyl)thiazole-4-carboxamide
CID 493396
4-{[2-(2,3-Dihydro-1,4-benzodioxin-2-yl)-1,3-thiazol-4-yl]carbonyl}morpholine
CID 2821632
[2-(2,3-Dihydro-1,4-benzodioxin-3-yl)-1,3-thiazol-4-yl]-pyrrolidin-1-ylmethanone
CID 11220811
S-furan-2-ylmethyl 2-(2,3-dihydrobenzo[b][1,4]dioxin-2-yl)thiazole-4-carbothioate
CID 2821637
2-(5-methylfuran-2-yl)-N-(2-morpholin-4-ylethyl)-1,3-thiazole-4-carboxamide
CID 38416914
2-(furan-2-yl)-N-methyl-1,3-thiazole-4-carboxamide
CID 39975237
2-(furan-2-yl)-N-(oxolan-3-ylmethyl)-1,3-thiazole-4-carboxamide
CID 53498385
2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]-N-(2-morpholin-4-ylpropyl)acetamide
CID 53505312
1,3,4,6,7,8,9,9a-Octahydropyrido[1,2-a]pyrazin-2-yl-[2-(furan-2-yl)-1,3-thiazol-4-yl]methanone
CID 56821359
2-(2,3-dihydro-1,4-benzodioxin-3-yl)-N-(thiophen-2-ylmethyl)-1,3-thiazole-4-carboxamide
CID 2821635
2-[4-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]piperazin-1-yl]-N-(furan-2-ylmethyl)acetamide
CID 30486304
2-(4-{[4-(2-Furyl)-1,3-thiazol-2-yl]methyl}-1-piperazinyl)-1-morpholino-1-ethanone
CID 30869050

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydro-1,4-benzodioxin-3-yl)-N-(furan-2-ylmethyl)-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-(2,3-dihydro-1,4-benzodioxin-3-yl)-N-(furan-2-ylmethyl)-1,3-thiazole-4-carboxamide (CID 2821636) is 2-(2,3-dihydro-1,4-benzodioxin-3-yl)-N-(furan-2-ylmethyl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-(2,3-dihydro-1,4-benzodioxin-3-yl)-N-(furan-2-ylmethyl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-(2,3-dihydro-1,4-benzodioxin-3-yl)-N-(furan-2-ylmethyl)-1,3-thiazole-4-carboxamide is O=C(NCc1ccco1)c1csc(C2COc3ccccc3O2)n1.
What is the InChIKey of 2-(2,3-dihydro-1,4-benzodioxin-3-yl)-N-(furan-2-ylmethyl)-1,3-thiazole-4-carboxamide?
The InChIKey is HBFIGRZWORPLGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2O4S/c20-16(18-8-11-4-3-7-21-11)12-10-24-17(19-12)15-9-22-13-5-1-2-6-14(13)23-15/h1-7,10,15H,8-9H2,(H,18,20).
What are the key properties of 2-(2,3-dihydro-1,4-benzodioxin-3-yl)-N-(furan-2-ylmethyl)-1,3-thiazole-4-carboxamide?
2-(2,3-dihydro-1,4-benzodioxin-3-yl)-N-(furan-2-ylmethyl)-1,3-thiazole-4-carboxamide has a molecular weight of 342.38 g/mol, XLogP of 3.18, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydro-1,4-benzodioxin-3-yl)-N-(furan-2-ylmethyl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 2821636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).