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

C16H14N6O2S2 — CID 122507411

IUPACN-[3-[5-(1H-indazol-5-ylamino)-1,3,4-thiadiazol-2-yl]phenyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1cccc(-c2nnc(Nc3ccc4[nH]ncc4c3)s2)c1
InChIInChI=1S/C16H14N6O2S2/c1-26(23,24)22-13-4-2-3-10(7-13)15-20-21-16(25-15)18-12-5-6-14-11(8-12)9-17-19-14/h2-9,22H,1H3,(H,17,19)(H,18,21)
InChIKeyWGOLLPMQGURGCP-UHFFFAOYSA-N
MW386.46 g/mol
LogP3.20
Rot. Bonds5

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

N-[3-[5-(1H-indazol-5-ylamino)-1,3,4-thiadiazol-2-yl]phenyl]methanesulfonamide (PubChem CID 122507411) has the molecular formula C16H14N6O2S2 and a molecular weight of 386.46 g/mol. Its IUPAC name is N-[3-[5-(1H-indazol-5-ylamino)-1,3,4-thiadiazol-2-yl]phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[3-[5-(1H-indazol-5-ylamino)-1,3,4-thiadiazol-2-yl]phenyl]methanesulfonamide
PubChem CID122507411
Molecular FormulaC16H14N6O2S2
Molecular Weight386.46 g/mol
Exact Mass386.06
IUPAC NameN-[3-[5-(1H-indazol-5-ylamino)-1,3,4-thiadiazol-2-yl]phenyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1cccc(-c2nnc(Nc3ccc4[nH]ncc4c3)s2)c1
InChIInChI=1S/C16H14N6O2S2/c1-26(23,24)22-13-4-2-3-10(7-13)15-20-21-16(25-15)18-12-5-6-14-11(8-12)9-17-19-14/h2-9,22H,1H3,(H,17,19)(H,18,21)
InChIKeyWGOLLPMQGURGCP-UHFFFAOYSA-N
XLogP3.20
TPSA112.66 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.46
LogP ≤ 53.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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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
3-amino-N-[3-[5-(1H-indazol-5-ylamino)-1,3,4-thiadiazol-2-yl]phenyl]pyrrolidine-1-carboxamide
CID 122507399
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
2-hydroxy-N-[3-[5-(1H-indazol-5-ylamino)-1,3,4-thiadiazol-2-yl]phenyl]ethanesulfonamide
CID 122522835
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
5-[(3R)-3-aminopyrrolidin-1-yl]-N-(1H-indazol-5-yl)-1,3,4-thiadiazol-2-amine
CID 122507397
N-(1H-indazol-5-yl)-5-piperazin-2-yl-1,3,4-thiadiazol-2-amine
CID 122507454
N-(1H-indazol-5-yl)-5-piperazin-1-yl-1,3,4-thiadiazol-2-amine
CID 122507455
N-[5-[5-(1H-indazol-5-ylamino)-1,3,4-thiadiazol-2-yl]-3-pyridinyl]methanesulfonamide
CID 122507457

Frequently Asked Questions

What is the IUPAC name of N-[3-[5-(1H-indazol-5-ylamino)-1,3,4-thiadiazol-2-yl]phenyl]methanesulfonamide?
The IUPAC name of N-[3-[5-(1H-indazol-5-ylamino)-1,3,4-thiadiazol-2-yl]phenyl]methanesulfonamide (CID 122507411) is N-[3-[5-(1H-indazol-5-ylamino)-1,3,4-thiadiazol-2-yl]phenyl]methanesulfonamide.
What is the SMILES notation for N-[3-[5-(1H-indazol-5-ylamino)-1,3,4-thiadiazol-2-yl]phenyl]methanesulfonamide?
The canonical SMILES for N-[3-[5-(1H-indazol-5-ylamino)-1,3,4-thiadiazol-2-yl]phenyl]methanesulfonamide is CS(=O)(=O)Nc1cccc(-c2nnc(Nc3ccc4[nH]ncc4c3)s2)c1.
What is the InChIKey of N-[3-[5-(1H-indazol-5-ylamino)-1,3,4-thiadiazol-2-yl]phenyl]methanesulfonamide?
The InChIKey is WGOLLPMQGURGCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N6O2S2/c1-26(23,24)22-13-4-2-3-10(7-13)15-20-21-16(25-15)18-12-5-6-14-11(8-12)9-17-19-14/h2-9,22H,1H3,(H,17,19)(H,18,21).
What are the key properties of N-[3-[5-(1H-indazol-5-ylamino)-1,3,4-thiadiazol-2-yl]phenyl]methanesulfonamide?
N-[3-[5-(1H-indazol-5-ylamino)-1,3,4-thiadiazol-2-yl]phenyl]methanesulfonamide has a molecular weight of 386.46 g/mol, XLogP of 3.20, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[5-(1H-indazol-5-ylamino)-1,3,4-thiadiazol-2-yl]phenyl]methanesulfonamide is sourced from PubChem (CID 122507411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).