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

C20H16N8OS — CID 122507619

IUPACN-[3-[5-(1H-indazol-5-ylamino)-1,3,4-thiadiazol-2-yl]phenyl]-1-methylpyrazole-3-carboxamide
SMILESCn1ccc(C(=O)Nc2cccc(-c3nnc(Nc4ccc5[nH]ncc5c4)s3)c2)n1
InChIInChI=1S/C20H16N8OS/c1-28-8-7-17(27-28)18(29)22-14-4-2-3-12(9-14)19-25-26-20(30-19)23-15-5-6-16-13(10-15)11-21-24-16/h2-11H,1H3,(H,21,24)(H,22,29)(H,23,26)
InChIKeyCARWYNUMOAMFSA-UHFFFAOYSA-N
MW416.47 g/mol
LogP3.81
Rot. Bonds5

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

N-[3-[5-(1H-indazol-5-ylamino)-1,3,4-thiadiazol-2-yl]phenyl]-1-methylpyrazole-3-carboxamide (PubChem CID 122507619) has the molecular formula C20H16N8OS and a molecular weight of 416.47 g/mol. Its IUPAC name is N-[3-[5-(1H-indazol-5-ylamino)-1,3,4-thiadiazol-2-yl]phenyl]-1-methylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[3-[5-(1H-indazol-5-ylamino)-1,3,4-thiadiazol-2-yl]phenyl]-1-methylpyrazole-3-carboxamide
PubChem CID122507619
Molecular FormulaC20H16N8OS
Molecular Weight416.47 g/mol
Exact Mass416.12
IUPAC NameN-[3-[5-(1H-indazol-5-ylamino)-1,3,4-thiadiazol-2-yl]phenyl]-1-methylpyrazole-3-carboxamide
SMILESCn1ccc(C(=O)Nc2cccc(-c3nnc(Nc4ccc5[nH]ncc5c4)s3)c2)n1
InChIInChI=1S/C20H16N8OS/c1-28-8-7-17(27-28)18(29)22-14-4-2-3-12(9-14)19-25-26-20(30-19)23-15-5-6-16-13(10-15)11-21-24-16/h2-11H,1H3,(H,21,24)(H,22,29)(H,23,26)
InChIKeyCARWYNUMOAMFSA-UHFFFAOYSA-N
XLogP3.81
TPSA113.41 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.47
LogP ≤ 53.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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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]-1-methylpyrazole-3-carboxamide?
The IUPAC name of N-[3-[5-(1H-indazol-5-ylamino)-1,3,4-thiadiazol-2-yl]phenyl]-1-methylpyrazole-3-carboxamide (CID 122507619) is N-[3-[5-(1H-indazol-5-ylamino)-1,3,4-thiadiazol-2-yl]phenyl]-1-methylpyrazole-3-carboxamide.
What is the SMILES notation for N-[3-[5-(1H-indazol-5-ylamino)-1,3,4-thiadiazol-2-yl]phenyl]-1-methylpyrazole-3-carboxamide?
The canonical SMILES for N-[3-[5-(1H-indazol-5-ylamino)-1,3,4-thiadiazol-2-yl]phenyl]-1-methylpyrazole-3-carboxamide is Cn1ccc(C(=O)Nc2cccc(-c3nnc(Nc4ccc5[nH]ncc5c4)s3)c2)n1.
What is the InChIKey of N-[3-[5-(1H-indazol-5-ylamino)-1,3,4-thiadiazol-2-yl]phenyl]-1-methylpyrazole-3-carboxamide?
The InChIKey is CARWYNUMOAMFSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N8OS/c1-28-8-7-17(27-28)18(29)22-14-4-2-3-12(9-14)19-25-26-20(30-19)23-15-5-6-16-13(10-15)11-21-24-16/h2-11H,1H3,(H,21,24)(H,22,29)(H,23,26).
What are the key properties of N-[3-[5-(1H-indazol-5-ylamino)-1,3,4-thiadiazol-2-yl]phenyl]-1-methylpyrazole-3-carboxamide?
N-[3-[5-(1H-indazol-5-ylamino)-1,3,4-thiadiazol-2-yl]phenyl]-1-methylpyrazole-3-carboxamide has a molecular weight of 416.47 g/mol, XLogP of 3.81, 5 rotatable bonds, 3 hydrogen bond donors, and 8 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]-1-methylpyrazole-3-carboxamide is sourced from PubChem (CID 122507619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).