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

C16H15N7O2S2 — CID 122507617

IUPACN-[5-[5-(1H-indazol-5-ylamino)-1,3,4-thiadiazol-2-yl]-3-pyridinyl]ethanesulfonamide
SMILESCCS(=O)(=O)Nc1cncc(-c2nnc(Nc3ccc4[nH]ncc4c3)s2)c1
InChIInChI=1S/C16H15N7O2S2/c1-2-27(24,25)23-13-6-11(7-17-9-13)15-21-22-16(26-15)19-12-3-4-14-10(5-12)8-18-20-14/h3-9,23H,2H2,1H3,(H,18,20)(H,19,22)
InChIKeyLZTSACKGFZZQRG-UHFFFAOYSA-N
MW401.48 g/mol
LogP2.98
Rot. Bonds6

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

N-[5-[5-(1H-indazol-5-ylamino)-1,3,4-thiadiazol-2-yl]-3-pyridinyl]ethanesulfonamide (PubChem CID 122507617) has the molecular formula C16H15N7O2S2 and a molecular weight of 401.48 g/mol. Its IUPAC name is N-[5-[5-(1H-indazol-5-ylamino)-1,3,4-thiadiazol-2-yl]-3-pyridinyl]ethanesulfonamide.

Molecular Properties

Compound NameN-[5-[5-(1H-indazol-5-ylamino)-1,3,4-thiadiazol-2-yl]-3-pyridinyl]ethanesulfonamide
PubChem CID122507617
Molecular FormulaC16H15N7O2S2
Molecular Weight401.48 g/mol
Exact Mass401.07
IUPAC NameN-[5-[5-(1H-indazol-5-ylamino)-1,3,4-thiadiazol-2-yl]-3-pyridinyl]ethanesulfonamide
SMILESCCS(=O)(=O)Nc1cncc(-c2nnc(Nc3ccc4[nH]ncc4c3)s2)c1
InChIInChI=1S/C16H15N7O2S2/c1-2-27(24,25)23-13-6-11(7-17-9-13)15-21-22-16(26-15)19-12-3-4-14-10(5-12)8-18-20-14/h3-9,23H,2H2,1H3,(H,18,20)(H,19,22)
InChIKeyLZTSACKGFZZQRG-UHFFFAOYSA-N
XLogP2.98
TPSA125.55 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.48
LogP ≤ 52.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Related Compounds

N-(1-ethyl-3-methylindazol-5-yl)-1H-pyrazolo[4,3-b]pyridin-3-amine
CID 134191981
N-(1,3-dimethylindazol-5-yl)-1H-pyrazolo[4,3-b]pyridin-3-amine
CID 134198077
N-[1-(cyclobutylmethyl)-3-methylindazol-5-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine
CID 134198221
N-(1-cyclopentyl-3-methylindazol-5-yl)-1H-pyrazolo[4,3-b]pyridin-3-amine
CID 134198340
N-(1-methylindazol-5-yl)-1H-pyrazolo[4,3-b]pyridin-3-amine
CID 134198363
N-(1H-indazol-5-yl)-N-[(1-methylpyrazol-3-yl)methyl]-4-pyridin-2-yl-1,3-thiazol-2-amine
CID 127048931
N-(1H-indazol-5-yl)-N-methyl-4-pyridin-2-yl-1,3-thiazol-2-amine
CID 127052038
N-(1-methylindol-5-yl)-1H-pyrazolo[4,3-b]pyridin-3-amine
CID 53374105
1-[3-(pyridin-3-yliminomethyl)-2H-indazol-6-yl]-3-(1,3,4-thiadiazol-2-yl)urea
CID 136033909
N-(1H-indazol-5-yl)-5-(1-methylbenzimidazol-4-yl)-1,3,4-thiadiazol-2-amine
CID 122507376
US10112935, Example 49
CID 122507394
N-[3-[5-(1H-indazol-5-ylamino)-1,3,4-thiadiazol-2-yl]phenyl]methanesulfonamide
CID 122507411

Frequently Asked Questions

What is the IUPAC name of N-[5-[5-(1H-indazol-5-ylamino)-1,3,4-thiadiazol-2-yl]-3-pyridinyl]ethanesulfonamide?
The IUPAC name of N-[5-[5-(1H-indazol-5-ylamino)-1,3,4-thiadiazol-2-yl]-3-pyridinyl]ethanesulfonamide (CID 122507617) is N-[5-[5-(1H-indazol-5-ylamino)-1,3,4-thiadiazol-2-yl]-3-pyridinyl]ethanesulfonamide.
What is the SMILES notation for N-[5-[5-(1H-indazol-5-ylamino)-1,3,4-thiadiazol-2-yl]-3-pyridinyl]ethanesulfonamide?
The canonical SMILES for N-[5-[5-(1H-indazol-5-ylamino)-1,3,4-thiadiazol-2-yl]-3-pyridinyl]ethanesulfonamide is CCS(=O)(=O)Nc1cncc(-c2nnc(Nc3ccc4[nH]ncc4c3)s2)c1.
What is the InChIKey of N-[5-[5-(1H-indazol-5-ylamino)-1,3,4-thiadiazol-2-yl]-3-pyridinyl]ethanesulfonamide?
The InChIKey is LZTSACKGFZZQRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N7O2S2/c1-2-27(24,25)23-13-6-11(7-17-9-13)15-21-22-16(26-15)19-12-3-4-14-10(5-12)8-18-20-14/h3-9,23H,2H2,1H3,(H,18,20)(H,19,22).
What are the key properties of N-[5-[5-(1H-indazol-5-ylamino)-1,3,4-thiadiazol-2-yl]-3-pyridinyl]ethanesulfonamide?
N-[5-[5-(1H-indazol-5-ylamino)-1,3,4-thiadiazol-2-yl]-3-pyridinyl]ethanesulfonamide has a molecular weight of 401.48 g/mol, XLogP of 2.98, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[5-(1H-indazol-5-ylamino)-1,3,4-thiadiazol-2-yl]-3-pyridinyl]ethanesulfonamide is sourced from PubChem (CID 122507617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).