[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl 4-methoxy-3-sulfamoylbenzoate

C16H14N2O6S2 — CID 32757862

IUPAC[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl 4-methoxy-3-sulfamoylbenzoate
SMILESCOc1ccc(C(=O)OCc2csc(-c3ccco3)n2)cc1S(N)(=O)=O
InChIInChI=1S/C16H14N2O6S2/c1-22-12-5-4-10(7-14(12)26(17,20)21)16(19)24-8-11-9-25-15(18-11)13-3-2-6-23-13/h2-7,9H,8H2,1H3,(H2,17,20,21)
InChIKeyDORIPBXJEBBFAC-UHFFFAOYSA-N
MW394.43 g/mol
LogP2.42
Rot. Bonds6

About [2-(furan-2-yl)-1,3-thiazol-4-yl]methyl 4-methoxy-3-sulfamoylbenzoate

[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl 4-methoxy-3-sulfamoylbenzoate (PubChem CID 32757862) has the molecular formula C16H14N2O6S2 and a molecular weight of 394.43 g/mol. Its IUPAC name is [2-(furan-2-yl)-1,3-thiazol-4-yl]methyl 4-methoxy-3-sulfamoylbenzoate.

Molecular Properties

Compound Name[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl 4-methoxy-3-sulfamoylbenzoate
PubChem CID32757862
Molecular FormulaC16H14N2O6S2
Molecular Weight394.43 g/mol
Exact Mass394.03
IUPAC Name[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl 4-methoxy-3-sulfamoylbenzoate
SMILESCOc1ccc(C(=O)OCc2csc(-c3ccco3)n2)cc1S(N)(=O)=O
InChIInChI=1S/C16H14N2O6S2/c1-22-12-5-4-10(7-14(12)26(17,20)21)16(19)24-8-11-9-25-15(18-11)13-3-2-6-23-13/h2-7,9H,8H2,1H3,(H2,17,20,21)
InChIKeyDORIPBXJEBBFAC-UHFFFAOYSA-N
XLogP2.42
TPSA121.72 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.43
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl 2-(3,4,5-trimethoxyphenyl)acetate
CID 32762869
[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl 4-(5-methylpyrazol-1-yl)benzoate
CID 32913848
[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl 3-(tetrazol-1-yl)benzoate
CID 55514433
[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl (2S)-2-[(3,5-dimethoxybenzoyl)amino]-3-methylbutanoate
CID 32738915
[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]methyl naphthalene-2-carboxylate
CID 7697717
[2-(3-methoxyphenyl)-1,3-thiazol-4-yl]methyl 4-(furan-2-ylmethylsulfamoyl)benzoate
CID 16526912
(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl 3,4-dimethoxybenzoate
CID 8649074
(2-phenyl-1,3-thiazol-4-yl)methyl 4-ethoxy-3-methoxybenzoate
CID 7416076
[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl 5-methyl-2-phenyl-1H-imidazole-4-carboxylate
CID 166192657
[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl 3-methoxy-4-(3-methylbutoxy)benzoate
CID 16564672
[2-(3-methoxyphenyl)-1,3-thiazol-4-yl]methyl 4-methoxy-3-nitrobenzoate
CID 8708451
[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl (E)-3-[4-(difluoromethoxy)-3-methoxyphenyl]prop-2-enoate
CID 32738933

Frequently Asked Questions

What is the IUPAC name of [2-(furan-2-yl)-1,3-thiazol-4-yl]methyl 4-methoxy-3-sulfamoylbenzoate?
The IUPAC name of [2-(furan-2-yl)-1,3-thiazol-4-yl]methyl 4-methoxy-3-sulfamoylbenzoate (CID 32757862) is [2-(furan-2-yl)-1,3-thiazol-4-yl]methyl 4-methoxy-3-sulfamoylbenzoate.
What is the SMILES notation for [2-(furan-2-yl)-1,3-thiazol-4-yl]methyl 4-methoxy-3-sulfamoylbenzoate?
The canonical SMILES for [2-(furan-2-yl)-1,3-thiazol-4-yl]methyl 4-methoxy-3-sulfamoylbenzoate is COc1ccc(C(=O)OCc2csc(-c3ccco3)n2)cc1S(N)(=O)=O.
What is the InChIKey of [2-(furan-2-yl)-1,3-thiazol-4-yl]methyl 4-methoxy-3-sulfamoylbenzoate?
The InChIKey is DORIPBXJEBBFAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O6S2/c1-22-12-5-4-10(7-14(12)26(17,20)21)16(19)24-8-11-9-25-15(18-11)13-3-2-6-23-13/h2-7,9H,8H2,1H3,(H2,17,20,21).
What are the key properties of [2-(furan-2-yl)-1,3-thiazol-4-yl]methyl 4-methoxy-3-sulfamoylbenzoate?
[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl 4-methoxy-3-sulfamoylbenzoate has a molecular weight of 394.43 g/mol, XLogP of 2.42, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(furan-2-yl)-1,3-thiazol-4-yl]methyl 4-methoxy-3-sulfamoylbenzoate is sourced from PubChem (CID 32757862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).