2-hydroxy-N-[3-[5-(1H-indazol-5-ylamino)-1,3,4-thiadiazol-2-yl]phenyl]ethanesulfonamide

C17H16N6O3S2 — CID 122522835

IUPAC2-hydroxy-N-[3-[5-(1H-indazol-5-ylamino)-1,3,4-thiadiazol-2-yl]phenyl]ethanesulfonamide
SMILESO=S(=O)(CCO)Nc1cccc(-c2nnc(Nc3ccc4[nH]ncc4c3)s2)c1
InChIInChI=1S/C17H16N6O3S2/c24-6-7-28(25,26)23-14-3-1-2-11(8-14)16-21-22-17(27-16)19-13-4-5-15-12(9-13)10-18-20-15/h1-5,8-10,23-24H,6-7H2,(H,18,20)(H,19,22)
InChIKeyCTPIIXKTCWIZDR-UHFFFAOYSA-N
MW416.49 g/mol
LogP2.56
Rot. Bonds7

About 2-hydroxy-N-[3-[5-(1H-indazol-5-ylamino)-1,3,4-thiadiazol-2-yl]phenyl]ethanesulfonamide

2-hydroxy-N-[3-[5-(1H-indazol-5-ylamino)-1,3,4-thiadiazol-2-yl]phenyl]ethanesulfonamide (PubChem CID 122522835) has the molecular formula C17H16N6O3S2 and a molecular weight of 416.49 g/mol. Its IUPAC name is 2-hydroxy-N-[3-[5-(1H-indazol-5-ylamino)-1,3,4-thiadiazol-2-yl]phenyl]ethanesulfonamide.

Molecular Properties

Compound Name2-hydroxy-N-[3-[5-(1H-indazol-5-ylamino)-1,3,4-thiadiazol-2-yl]phenyl]ethanesulfonamide
PubChem CID122522835
Molecular FormulaC17H16N6O3S2
Molecular Weight416.49 g/mol
Exact Mass416.07
IUPAC Name2-hydroxy-N-[3-[5-(1H-indazol-5-ylamino)-1,3,4-thiadiazol-2-yl]phenyl]ethanesulfonamide
SMILESO=S(=O)(CCO)Nc1cccc(-c2nnc(Nc3ccc4[nH]ncc4c3)s2)c1
InChIInChI=1S/C17H16N6O3S2/c24-6-7-28(25,26)23-14-3-1-2-11(8-14)16-21-22-17(27-16)19-13-4-5-15-12(9-13)10-18-20-15/h1-5,8-10,23-24H,6-7H2,(H,18,20)(H,19,22)
InChIKeyCTPIIXKTCWIZDR-UHFFFAOYSA-N
XLogP2.56
TPSA132.89 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.49
LogP ≤ 52.56
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

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Related Compounds

N-[3,4-difluoro-5-[5-(1H-indazol-5-ylamino)-1,3,4-thiadiazol-2-yl]phenyl]acetamide
CID 122522624
N-[3-[5-(1H-indazol-5-ylamino)-1,3,4-thiadiazol-2-yl]phenyl]methanesulfonamide
CID 122507411
N-(1H-Indazol-5-yl)-5-[3-(1H-pyrazol-4-yl)phenyl]-1,3,4-thiadiazol-2-amine
CID 122507502
N-[3-[5-(1H-indazol-5-ylamino)-1,3,4-thiadiazol-2-yl]phenyl]acetamide
CID 122522834
N-[3-[5-[(4-ethyl-1H-indazol-5-yl)amino]-1,3,4-thiadiazol-2-yl]phenyl]acetamide
CID 134399035
N-[3-[5-(1H-indazol-5-ylamino)-1,3,4-thiadiazol-2-yl]phenyl]-3-methylpyrrolidine-1-carboxamide
CID 134399043
2-amino-N-[3-[5-(1H-indazol-5-ylamino)-1,3,4-thiadiazol-2-yl]phenyl]ethanesulfonamide
CID 122507392
N-[3-[5-(1H-indazol-5-ylamino)-1,3,4-thiadiazol-2-yl]phenyl]ethanesulfonamide
CID 122507464
N-(1H-indazol-5-yl)-5-piperidin-3-yl-1,3,4-thiadiazol-2-amine
CID 122507532
N-[5-[5-(1H-indazol-5-ylamino)-1,3,4-thiadiazol-2-yl]-3-pyridinyl]ethanesulfonamide
CID 122507617
2-[[3-[5-(1H-indazol-5-ylamino)-1,3,4-thiadiazol-2-yl]phenyl]sulfamoyl]acetic acid
CID 122522659
N-(1H-indazol-5-yl)-5-(3-nitrophenyl)-1,3,4-thiadiazol-2-amine
CID 122522726

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-N-[3-[5-(1H-indazol-5-ylamino)-1,3,4-thiadiazol-2-yl]phenyl]ethanesulfonamide?
The IUPAC name of 2-hydroxy-N-[3-[5-(1H-indazol-5-ylamino)-1,3,4-thiadiazol-2-yl]phenyl]ethanesulfonamide (CID 122522835) is 2-hydroxy-N-[3-[5-(1H-indazol-5-ylamino)-1,3,4-thiadiazol-2-yl]phenyl]ethanesulfonamide.
What is the SMILES notation for 2-hydroxy-N-[3-[5-(1H-indazol-5-ylamino)-1,3,4-thiadiazol-2-yl]phenyl]ethanesulfonamide?
The canonical SMILES for 2-hydroxy-N-[3-[5-(1H-indazol-5-ylamino)-1,3,4-thiadiazol-2-yl]phenyl]ethanesulfonamide is O=S(=O)(CCO)Nc1cccc(-c2nnc(Nc3ccc4[nH]ncc4c3)s2)c1.
What is the InChIKey of 2-hydroxy-N-[3-[5-(1H-indazol-5-ylamino)-1,3,4-thiadiazol-2-yl]phenyl]ethanesulfonamide?
The InChIKey is CTPIIXKTCWIZDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N6O3S2/c24-6-7-28(25,26)23-14-3-1-2-11(8-14)16-21-22-17(27-16)19-13-4-5-15-12(9-13)10-18-20-15/h1-5,8-10,23-24H,6-7H2,(H,18,20)(H,19,22).
What are the key properties of 2-hydroxy-N-[3-[5-(1H-indazol-5-ylamino)-1,3,4-thiadiazol-2-yl]phenyl]ethanesulfonamide?
2-hydroxy-N-[3-[5-(1H-indazol-5-ylamino)-1,3,4-thiadiazol-2-yl]phenyl]ethanesulfonamide has a molecular weight of 416.49 g/mol, XLogP of 2.56, 7 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-N-[3-[5-(1H-indazol-5-ylamino)-1,3,4-thiadiazol-2-yl]phenyl]ethanesulfonamide is sourced from PubChem (CID 122522835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).