4-[[4-(5-methylfuran-2-yl)-1,3-thiazol-2-yl]amino]benzenesulfonamide

C14H13N3O3S2 — CID 2959831

IUPAC4-[[4-(5-methylfuran-2-yl)-1,3-thiazol-2-yl]amino]benzenesulfonamide
SMILESCc1ccc(-c2csc(Nc3ccc(S(N)(=O)=O)cc3)n2)o1
InChIInChI=1S/C14H13N3O3S2/c1-9-2-7-13(20-9)12-8-21-14(17-12)16-10-3-5-11(6-4-10)22(15,18)19/h2-8H,1H3,(H,16,17)(H2,15,18,19)
InChIKeyZGHFSUBSMRTDOK-UHFFFAOYSA-N
MW335.41 g/mol
LogP3.10
Rot. Bonds4

About 4-[[4-(5-methylfuran-2-yl)-1,3-thiazol-2-yl]amino]benzenesulfonamide

4-[[4-(5-methylfuran-2-yl)-1,3-thiazol-2-yl]amino]benzenesulfonamide (PubChem CID 2959831) has the molecular formula C14H13N3O3S2 and a molecular weight of 335.41 g/mol. Its IUPAC name is 4-[[4-(5-methylfuran-2-yl)-1,3-thiazol-2-yl]amino]benzenesulfonamide.

Molecular Properties

Compound Name4-[[4-(5-methylfuran-2-yl)-1,3-thiazol-2-yl]amino]benzenesulfonamide
PubChem CID2959831
Molecular FormulaC14H13N3O3S2
Molecular Weight335.41 g/mol
Exact Mass335.04
IUPAC Name4-[[4-(5-methylfuran-2-yl)-1,3-thiazol-2-yl]amino]benzenesulfonamide
SMILESCc1ccc(-c2csc(Nc3ccc(S(N)(=O)=O)cc3)n2)o1
InChIInChI=1S/C14H13N3O3S2/c1-9-2-7-13(20-9)12-8-21-14(17-12)16-10-3-5-11(6-4-10)22(15,18)19/h2-8H,1H3,(H,16,17)(H2,15,18,19)
InChIKeyZGHFSUBSMRTDOK-UHFFFAOYSA-N
XLogP3.10
TPSA98.22 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-fluoro-N-[4-(5-methylfuran-2-yl)-1,3-thiazol-2-yl]benzene-1-sulfonamide
CID 9166003
2-(4-fluorophenyl)-N-[4-(5-methylfuran-2-yl)-1,3-thiazol-2-yl]acetamide
CID 2464348
4-(5-Methylfuran-2-yl)-1,3-thiazol-2-amine
CID 2113305
N-[4-(5-methylfuran-2-yl)-1,3-thiazol-2-yl]-3-(4-morpholin-4-ylsulfonylphenyl)prop-2-enamide
CID 72087117
2-[5-[2-(diaminomethylideneamino)-1,3-thiazol-4-yl]furan-2-yl]-N'-sulfamoylethanimidamide
CID 10360071
N-(4-methyl-1,3-thiazol-2-yl)-5-{[4-(trifluoromethoxy)phenyl]sulfamoyl}furan-2-carboxamide
CID 44072167
N-[[5-[2-[(N'-methylcarbamimidoyl)amino]-1,3-thiazol-4-yl]furan-2-yl]methyl]acetamide
CID 10541747
N-[[5-[2-[[N'-[2-(2-acetamidophenyl)ethyl]carbamimidoyl]amino]-1,3-thiazol-4-yl]furan-2-yl]methyl]acetamide
CID 10575112
4-(5-Acetylaminomethylfuran-2-yl)-2-thioureidothiazole
CID 10709059
N-[[5-[2-[[N'-(2-anilinoethyl)carbamimidoyl]amino]-1,3-thiazol-4-yl]furan-2-yl]methyl]acetamide
CID 11795160
N-[[5-[2-[(N'-cyclohexylcarbamimidoyl)amino]-1,3-thiazol-4-yl]furan-2-yl]methyl]acetamide
CID 44275140
N-[[5-[2-[[N'-(2-methylsulfanylethyl)carbamimidoyl]amino]-1,3-thiazol-4-yl]furan-2-yl]methyl]acetamide
CID 44275171

Frequently Asked Questions

What is the IUPAC name of 4-[[4-(5-methylfuran-2-yl)-1,3-thiazol-2-yl]amino]benzenesulfonamide?
The IUPAC name of 4-[[4-(5-methylfuran-2-yl)-1,3-thiazol-2-yl]amino]benzenesulfonamide (CID 2959831) is 4-[[4-(5-methylfuran-2-yl)-1,3-thiazol-2-yl]amino]benzenesulfonamide.
What is the SMILES notation for 4-[[4-(5-methylfuran-2-yl)-1,3-thiazol-2-yl]amino]benzenesulfonamide?
The canonical SMILES for 4-[[4-(5-methylfuran-2-yl)-1,3-thiazol-2-yl]amino]benzenesulfonamide is Cc1ccc(-c2csc(Nc3ccc(S(N)(=O)=O)cc3)n2)o1.
What is the InChIKey of 4-[[4-(5-methylfuran-2-yl)-1,3-thiazol-2-yl]amino]benzenesulfonamide?
The InChIKey is ZGHFSUBSMRTDOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O3S2/c1-9-2-7-13(20-9)12-8-21-14(17-12)16-10-3-5-11(6-4-10)22(15,18)19/h2-8H,1H3,(H,16,17)(H2,15,18,19).
What are the key properties of 4-[[4-(5-methylfuran-2-yl)-1,3-thiazol-2-yl]amino]benzenesulfonamide?
4-[[4-(5-methylfuran-2-yl)-1,3-thiazol-2-yl]amino]benzenesulfonamide has a molecular weight of 335.41 g/mol, XLogP of 3.10, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(5-methylfuran-2-yl)-1,3-thiazol-2-yl]amino]benzenesulfonamide is sourced from PubChem (CID 2959831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).