2-[[3-[5-(1H-indazol-5-ylamino)-1,3,4-thiadiazol-2-yl]phenyl]sulfamoyl]acetic acid

C17H14N6O4S2 — CID 122522659

IUPAC2-[[3-[5-(1H-indazol-5-ylamino)-1,3,4-thiadiazol-2-yl]phenyl]sulfamoyl]acetic acid
SMILESO=C(O)CS(=O)(=O)Nc1cccc(-c2nnc(Nc3ccc4[nH]ncc4c3)s2)c1
InChIInChI=1S/C17H14N6O4S2/c24-15(25)9-29(26,27)23-13-3-1-2-10(6-13)16-21-22-17(28-16)19-12-4-5-14-11(7-12)8-18-20-14/h1-8,23H,9H2,(H,18,20)(H,19,22)(H,24,25)
InChIKeyINFUFQZILLKDNY-UHFFFAOYSA-N
MW430.47 g/mol
LogP2.65
Rot. Bonds7

About 2-[[3-[5-(1H-indazol-5-ylamino)-1,3,4-thiadiazol-2-yl]phenyl]sulfamoyl]acetic acid

2-[[3-[5-(1H-indazol-5-ylamino)-1,3,4-thiadiazol-2-yl]phenyl]sulfamoyl]acetic acid (PubChem CID 122522659) has the molecular formula C17H14N6O4S2 and a molecular weight of 430.47 g/mol. Its IUPAC name is 2-[[3-[5-(1H-indazol-5-ylamino)-1,3,4-thiadiazol-2-yl]phenyl]sulfamoyl]acetic acid.

Molecular Properties

Compound Name2-[[3-[5-(1H-indazol-5-ylamino)-1,3,4-thiadiazol-2-yl]phenyl]sulfamoyl]acetic acid
PubChem CID122522659
Molecular FormulaC17H14N6O4S2
Molecular Weight430.47 g/mol
Exact Mass430.05
IUPAC Name2-[[3-[5-(1H-indazol-5-ylamino)-1,3,4-thiadiazol-2-yl]phenyl]sulfamoyl]acetic acid
SMILESO=C(O)CS(=O)(=O)Nc1cccc(-c2nnc(Nc3ccc4[nH]ncc4c3)s2)c1
InChIInChI=1S/C17H14N6O4S2/c24-15(25)9-29(26,27)23-13-3-1-2-10(6-13)16-21-22-17(28-16)19-12-4-5-14-11(7-12)8-18-20-14/h1-8,23H,9H2,(H,18,20)(H,19,22)(H,24,25)
InChIKeyINFUFQZILLKDNY-UHFFFAOYSA-N
XLogP2.65
TPSA149.96 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.47
LogP ≤ 52.65
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-[[3-[5-(1H-indazol-5-ylamino)-1,3,4-thiadiazol-2-yl]phenyl]sulfamoyl]acetic acid?
The IUPAC name of 2-[[3-[5-(1H-indazol-5-ylamino)-1,3,4-thiadiazol-2-yl]phenyl]sulfamoyl]acetic acid (CID 122522659) is 2-[[3-[5-(1H-indazol-5-ylamino)-1,3,4-thiadiazol-2-yl]phenyl]sulfamoyl]acetic acid.
What is the SMILES notation for 2-[[3-[5-(1H-indazol-5-ylamino)-1,3,4-thiadiazol-2-yl]phenyl]sulfamoyl]acetic acid?
The canonical SMILES for 2-[[3-[5-(1H-indazol-5-ylamino)-1,3,4-thiadiazol-2-yl]phenyl]sulfamoyl]acetic acid is O=C(O)CS(=O)(=O)Nc1cccc(-c2nnc(Nc3ccc4[nH]ncc4c3)s2)c1.
What is the InChIKey of 2-[[3-[5-(1H-indazol-5-ylamino)-1,3,4-thiadiazol-2-yl]phenyl]sulfamoyl]acetic acid?
The InChIKey is INFUFQZILLKDNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N6O4S2/c24-15(25)9-29(26,27)23-13-3-1-2-10(6-13)16-21-22-17(28-16)19-12-4-5-14-11(7-12)8-18-20-14/h1-8,23H,9H2,(H,18,20)(H,19,22)(H,24,25).
What are the key properties of 2-[[3-[5-(1H-indazol-5-ylamino)-1,3,4-thiadiazol-2-yl]phenyl]sulfamoyl]acetic acid?
2-[[3-[5-(1H-indazol-5-ylamino)-1,3,4-thiadiazol-2-yl]phenyl]sulfamoyl]acetic acid has a molecular weight of 430.47 g/mol, XLogP of 2.65, 7 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-[5-(1H-indazol-5-ylamino)-1,3,4-thiadiazol-2-yl]phenyl]sulfamoyl]acetic acid is sourced from PubChem (CID 122522659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).