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

C15H13N7O2S2 — CID 122507457

IUPACN-[5-[5-(1H-indazol-5-ylamino)-1,3,4-thiadiazol-2-yl]-3-pyridinyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1cncc(-c2nnc(Nc3ccc4[nH]ncc4c3)s2)c1
InChIInChI=1S/C15H13N7O2S2/c1-26(23,24)22-12-5-10(6-16-8-12)14-20-21-15(25-14)18-11-2-3-13-9(4-11)7-17-19-13/h2-8,22H,1H3,(H,17,19)(H,18,21)
InChIKeyYXHRAZYQDMASPK-UHFFFAOYSA-N
MW387.45 g/mol
LogP2.59
Rot. Bonds5

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

N-[5-[5-(1H-indazol-5-ylamino)-1,3,4-thiadiazol-2-yl]-3-pyridinyl]methanesulfonamide (PubChem CID 122507457) has the molecular formula C15H13N7O2S2 and a molecular weight of 387.45 g/mol. Its IUPAC name is N-[5-[5-(1H-indazol-5-ylamino)-1,3,4-thiadiazol-2-yl]-3-pyridinyl]methanesulfonamide.

Molecular Properties

Compound NameN-[5-[5-(1H-indazol-5-ylamino)-1,3,4-thiadiazol-2-yl]-3-pyridinyl]methanesulfonamide
PubChem CID122507457
Molecular FormulaC15H13N7O2S2
Molecular Weight387.45 g/mol
Exact Mass387.06
IUPAC NameN-[5-[5-(1H-indazol-5-ylamino)-1,3,4-thiadiazol-2-yl]-3-pyridinyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1cncc(-c2nnc(Nc3ccc4[nH]ncc4c3)s2)c1
InChIInChI=1S/C15H13N7O2S2/c1-26(23,24)22-12-5-10(6-16-8-12)14-20-21-15(25-14)18-11-2-3-13-9(4-11)7-17-19-13/h2-8,22H,1H3,(H,17,19)(H,18,21)
InChIKeyYXHRAZYQDMASPK-UHFFFAOYSA-N
XLogP2.59
TPSA125.55 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.45
LogP ≤ 52.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[5-[5-(1H-indazol-5-ylamino)-1,3,4-thiadiazol-2-yl]-3-pyridinyl]methanesulfonamide?
The IUPAC name of N-[5-[5-(1H-indazol-5-ylamino)-1,3,4-thiadiazol-2-yl]-3-pyridinyl]methanesulfonamide (CID 122507457) is N-[5-[5-(1H-indazol-5-ylamino)-1,3,4-thiadiazol-2-yl]-3-pyridinyl]methanesulfonamide.
What is the SMILES notation for N-[5-[5-(1H-indazol-5-ylamino)-1,3,4-thiadiazol-2-yl]-3-pyridinyl]methanesulfonamide?
The canonical SMILES for N-[5-[5-(1H-indazol-5-ylamino)-1,3,4-thiadiazol-2-yl]-3-pyridinyl]methanesulfonamide is CS(=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]methanesulfonamide?
The InChIKey is YXHRAZYQDMASPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N7O2S2/c1-26(23,24)22-12-5-10(6-16-8-12)14-20-21-15(25-14)18-11-2-3-13-9(4-11)7-17-19-13/h2-8,22H,1H3,(H,17,19)(H,18,21).
What are the key properties of N-[5-[5-(1H-indazol-5-ylamino)-1,3,4-thiadiazol-2-yl]-3-pyridinyl]methanesulfonamide?
N-[5-[5-(1H-indazol-5-ylamino)-1,3,4-thiadiazol-2-yl]-3-pyridinyl]methanesulfonamide has a molecular weight of 387.45 g/mol, XLogP of 2.59, 5 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]methanesulfonamide is sourced from PubChem (CID 122507457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).