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

C19H14N8OS — CID 122507505

IUPACN-[3-[5-(1H-indazol-5-ylamino)-1,3,4-thiadiazol-2-yl]phenyl]-1H-pyrazole-4-carboxamide
SMILESO=C(Nc1cccc(-c2nnc(Nc3ccc4[nH]ncc4c3)s2)c1)c1cn[nH]c1
InChIInChI=1S/C19H14N8OS/c28-17(13-9-20-21-10-13)23-14-3-1-2-11(6-14)18-26-27-19(29-18)24-15-4-5-16-12(7-15)8-22-25-16/h1-10H,(H,20,21)(H,22,25)(H,23,28)(H,24,27)
InChIKeyQXMAUIOYQLYOAI-UHFFFAOYSA-N
MW402.44 g/mol
LogP3.80
Rot. Bonds5

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

N-[3-[5-(1H-indazol-5-ylamino)-1,3,4-thiadiazol-2-yl]phenyl]-1H-pyrazole-4-carboxamide (PubChem CID 122507505) has the molecular formula C19H14N8OS and a molecular weight of 402.44 g/mol. Its IUPAC name is N-[3-[5-(1H-indazol-5-ylamino)-1,3,4-thiadiazol-2-yl]phenyl]-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[3-[5-(1H-indazol-5-ylamino)-1,3,4-thiadiazol-2-yl]phenyl]-1H-pyrazole-4-carboxamide
PubChem CID122507505
Molecular FormulaC19H14N8OS
Molecular Weight402.44 g/mol
Exact Mass402.10
IUPAC NameN-[3-[5-(1H-indazol-5-ylamino)-1,3,4-thiadiazol-2-yl]phenyl]-1H-pyrazole-4-carboxamide
SMILESO=C(Nc1cccc(-c2nnc(Nc3ccc4[nH]ncc4c3)s2)c1)c1cn[nH]c1
InChIInChI=1S/C19H14N8OS/c28-17(13-9-20-21-10-13)23-14-3-1-2-11(6-14)18-26-27-19(29-18)24-15-4-5-16-12(7-15)8-22-25-16/h1-10H,(H,20,21)(H,22,25)(H,23,28)(H,24,27)
InChIKeyQXMAUIOYQLYOAI-UHFFFAOYSA-N
XLogP3.80
TPSA124.27 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.44
LogP ≤ 53.80
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[3-[5-(1H-indazol-5-ylamino)-1,3,4-thiadiazol-2-yl]phenyl]-1H-pyrazole-4-carboxamide?
The IUPAC name of N-[3-[5-(1H-indazol-5-ylamino)-1,3,4-thiadiazol-2-yl]phenyl]-1H-pyrazole-4-carboxamide (CID 122507505) is N-[3-[5-(1H-indazol-5-ylamino)-1,3,4-thiadiazol-2-yl]phenyl]-1H-pyrazole-4-carboxamide.
What is the SMILES notation for N-[3-[5-(1H-indazol-5-ylamino)-1,3,4-thiadiazol-2-yl]phenyl]-1H-pyrazole-4-carboxamide?
The canonical SMILES for N-[3-[5-(1H-indazol-5-ylamino)-1,3,4-thiadiazol-2-yl]phenyl]-1H-pyrazole-4-carboxamide is O=C(Nc1cccc(-c2nnc(Nc3ccc4[nH]ncc4c3)s2)c1)c1cn[nH]c1.
What is the InChIKey of N-[3-[5-(1H-indazol-5-ylamino)-1,3,4-thiadiazol-2-yl]phenyl]-1H-pyrazole-4-carboxamide?
The InChIKey is QXMAUIOYQLYOAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14N8OS/c28-17(13-9-20-21-10-13)23-14-3-1-2-11(6-14)18-26-27-19(29-18)24-15-4-5-16-12(7-15)8-22-25-16/h1-10H,(H,20,21)(H,22,25)(H,23,28)(H,24,27).
What are the key properties of N-[3-[5-(1H-indazol-5-ylamino)-1,3,4-thiadiazol-2-yl]phenyl]-1H-pyrazole-4-carboxamide?
N-[3-[5-(1H-indazol-5-ylamino)-1,3,4-thiadiazol-2-yl]phenyl]-1H-pyrazole-4-carboxamide has a molecular weight of 402.44 g/mol, XLogP of 3.80, 5 rotatable bonds, 4 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]-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 122507505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).