2-[[5-[(2,5-dimethylthiophen-3-yl)sulfonylamino]-1,3,4-thiadiazol-2-yl]sulfanyl]acetic acid

C10H11N3O4S4 — CID 61284550

IUPAC2-[[5-[(2,5-dimethylthiophen-3-yl)sulfonylamino]-1,3,4-thiadiazol-2-yl]sulfanyl]acetic acid
SMILESCc1cc(S(=O)(=O)Nc2nnc(SCC(=O)O)s2)c(C)s1
InChIInChI=1S/C10H11N3O4S4/c1-5-3-7(6(2)19-5)21(16,17)13-9-11-12-10(20-9)18-4-8(14)15/h3H,4H2,1-2H3,(H,11,13)(H,14,15)
InChIKeyXGEVGNVLRKCNGQ-UHFFFAOYSA-N
MW365.48 g/mol
LogP2.19
Rot. Bonds6

About 2-[[5-[(2,5-dimethylthiophen-3-yl)sulfonylamino]-1,3,4-thiadiazol-2-yl]sulfanyl]acetic acid

2-[[5-[(2,5-dimethylthiophen-3-yl)sulfonylamino]-1,3,4-thiadiazol-2-yl]sulfanyl]acetic acid (PubChem CID 61284550) has the molecular formula C10H11N3O4S4 and a molecular weight of 365.48 g/mol. Its IUPAC name is 2-[[5-[(2,5-dimethylthiophen-3-yl)sulfonylamino]-1,3,4-thiadiazol-2-yl]sulfanyl]acetic acid.

Molecular Properties

Compound Name2-[[5-[(2,5-dimethylthiophen-3-yl)sulfonylamino]-1,3,4-thiadiazol-2-yl]sulfanyl]acetic acid
PubChem CID61284550
Molecular FormulaC10H11N3O4S4
Molecular Weight365.48 g/mol
Exact Mass364.96
IUPAC Name2-[[5-[(2,5-dimethylthiophen-3-yl)sulfonylamino]-1,3,4-thiadiazol-2-yl]sulfanyl]acetic acid
SMILESCc1cc(S(=O)(=O)Nc2nnc(SCC(=O)O)s2)c(C)s1
InChIInChI=1S/C10H11N3O4S4/c1-5-3-7(6(2)19-5)21(16,17)13-9-11-12-10(20-9)18-4-8(14)15/h3H,4H2,1-2H3,(H,11,13)(H,14,15)
InChIKeyXGEVGNVLRKCNGQ-UHFFFAOYSA-N
XLogP2.19
TPSA109.25 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.48
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 2-[[5-[(2,5-dimethylthiophen-3-yl)sulfonylamino]-1,3,4-thiadiazol-2-yl]sulfanyl]acetic acid with MolForge

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Related Compounds

2-[[5-[(3-methylphenyl)sulfonylamino]-1,3,4-thiadiazol-2-yl]sulfanyl]acetic acid
CID 61283396
2-[[5-[(2-fluorophenyl)sulfonylamino]-1,3,4-thiadiazol-2-yl]sulfanyl]acetic acid
CID 61283777
2-[[5-[(4-iodophenyl)sulfonylamino]-1,3,4-thiadiazol-2-yl]sulfanyl]acetic acid
CID 61283779
2-[[5-(propylsulfamoylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetic acid
CID 114805790
2-[[5-(cyclopropylsulfonylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetic acid
CID 64553874
2-[[5-(3,5-dimethylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetic acid
CID 29064331
2-[[5-[3-(methanesulfonamido)propylamino]-1,3,4-thiadiazol-2-yl]sulfanyl]acetic acid
CID 106339455
2-[[5-(2,6-dimethylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetic acid
CID 2385843
2-[4-[(2,5-dimethylthiophen-3-yl)sulfonylamino]phenyl]acetic acid
CID 43238239
2-[[5-(morpholin-4-ylsulfonylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetic acid
CID 61283399
methyl 2-[[5-[(3-methoxy-5,6,7,8-tetrahydronaphthalen-2-yl)sulfonylamino]-1,3,4-thiadiazol-2-yl]sulfanyl]acetate
CID 100583022
2-[[5-(3,5-difluoroanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetic acid
CID 29064357

Frequently Asked Questions

What is the IUPAC name of 2-[[5-[(2,5-dimethylthiophen-3-yl)sulfonylamino]-1,3,4-thiadiazol-2-yl]sulfanyl]acetic acid?
The IUPAC name of 2-[[5-[(2,5-dimethylthiophen-3-yl)sulfonylamino]-1,3,4-thiadiazol-2-yl]sulfanyl]acetic acid (CID 61284550) is 2-[[5-[(2,5-dimethylthiophen-3-yl)sulfonylamino]-1,3,4-thiadiazol-2-yl]sulfanyl]acetic acid.
What is the SMILES notation for 2-[[5-[(2,5-dimethylthiophen-3-yl)sulfonylamino]-1,3,4-thiadiazol-2-yl]sulfanyl]acetic acid?
The canonical SMILES for 2-[[5-[(2,5-dimethylthiophen-3-yl)sulfonylamino]-1,3,4-thiadiazol-2-yl]sulfanyl]acetic acid is Cc1cc(S(=O)(=O)Nc2nnc(SCC(=O)O)s2)c(C)s1.
What is the InChIKey of 2-[[5-[(2,5-dimethylthiophen-3-yl)sulfonylamino]-1,3,4-thiadiazol-2-yl]sulfanyl]acetic acid?
The InChIKey is XGEVGNVLRKCNGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O4S4/c1-5-3-7(6(2)19-5)21(16,17)13-9-11-12-10(20-9)18-4-8(14)15/h3H,4H2,1-2H3,(H,11,13)(H,14,15).
What are the key properties of 2-[[5-[(2,5-dimethylthiophen-3-yl)sulfonylamino]-1,3,4-thiadiazol-2-yl]sulfanyl]acetic acid?
2-[[5-[(2,5-dimethylthiophen-3-yl)sulfonylamino]-1,3,4-thiadiazol-2-yl]sulfanyl]acetic acid has a molecular weight of 365.48 g/mol, XLogP of 2.19, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-[(2,5-dimethylthiophen-3-yl)sulfonylamino]-1,3,4-thiadiazol-2-yl]sulfanyl]acetic acid is sourced from PubChem (CID 61284550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).