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

C17H14N6OS — CID 122522834

IUPACN-[3-[5-(1H-indazol-5-ylamino)-1,3,4-thiadiazol-2-yl]phenyl]acetamide
SMILESCC(=O)Nc1cccc(-c2nnc(Nc3ccc4[nH]ncc4c3)s2)c1
InChIInChI=1S/C17H14N6OS/c1-10(24)19-13-4-2-3-11(7-13)16-22-23-17(25-16)20-14-5-6-15-12(8-14)9-18-21-15/h2-9H,1H3,(H,18,21)(H,19,24)(H,20,23)
InChIKeyUAEASCUZNUQFMQ-UHFFFAOYSA-N
MW350.41 g/mol
LogP3.78
Rot. Bonds4

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

N-[3-[5-(1H-indazol-5-ylamino)-1,3,4-thiadiazol-2-yl]phenyl]acetamide (PubChem CID 122522834) has the molecular formula C17H14N6OS and a molecular weight of 350.41 g/mol. Its IUPAC name is N-[3-[5-(1H-indazol-5-ylamino)-1,3,4-thiadiazol-2-yl]phenyl]acetamide.

Molecular Properties

Compound NameN-[3-[5-(1H-indazol-5-ylamino)-1,3,4-thiadiazol-2-yl]phenyl]acetamide
PubChem CID122522834
Molecular FormulaC17H14N6OS
Molecular Weight350.41 g/mol
Exact Mass350.09
IUPAC NameN-[3-[5-(1H-indazol-5-ylamino)-1,3,4-thiadiazol-2-yl]phenyl]acetamide
SMILESCC(=O)Nc1cccc(-c2nnc(Nc3ccc4[nH]ncc4c3)s2)c1
InChIInChI=1S/C17H14N6OS/c1-10(24)19-13-4-2-3-11(7-13)16-22-23-17(25-16)20-14-5-6-15-12(8-14)9-18-21-15/h2-9H,1H3,(H,18,21)(H,19,24)(H,20,23)
InChIKeyUAEASCUZNUQFMQ-UHFFFAOYSA-N
XLogP3.78
TPSA95.59 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.41
LogP ≤ 53.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze N-[3-[5-(1H-indazol-5-ylamino)-1,3,4-thiadiazol-2-yl]phenyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[3-[5-(1H-indazol-5-ylamino)-1,3,4-thiadiazol-2-yl]phenyl]acetamide?
The IUPAC name of N-[3-[5-(1H-indazol-5-ylamino)-1,3,4-thiadiazol-2-yl]phenyl]acetamide (CID 122522834) is N-[3-[5-(1H-indazol-5-ylamino)-1,3,4-thiadiazol-2-yl]phenyl]acetamide.
What is the SMILES notation for N-[3-[5-(1H-indazol-5-ylamino)-1,3,4-thiadiazol-2-yl]phenyl]acetamide?
The canonical SMILES for N-[3-[5-(1H-indazol-5-ylamino)-1,3,4-thiadiazol-2-yl]phenyl]acetamide is CC(=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]acetamide?
The InChIKey is UAEASCUZNUQFMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N6OS/c1-10(24)19-13-4-2-3-11(7-13)16-22-23-17(25-16)20-14-5-6-15-12(8-14)9-18-21-15/h2-9H,1H3,(H,18,21)(H,19,24)(H,20,23).
What are the key properties of N-[3-[5-(1H-indazol-5-ylamino)-1,3,4-thiadiazol-2-yl]phenyl]acetamide?
N-[3-[5-(1H-indazol-5-ylamino)-1,3,4-thiadiazol-2-yl]phenyl]acetamide has a molecular weight of 350.41 g/mol, XLogP of 3.78, 4 rotatable bonds, 3 hydrogen bond donors, and 6 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]acetamide is sourced from PubChem (CID 122522834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).