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

C19H18N6OS — CID 134399035

IUPACN-[3-[5-[(4-ethyl-1H-indazol-5-yl)amino]-1,3,4-thiadiazol-2-yl]phenyl]acetamide
SMILESCCc1c(Nc2nnc(-c3cccc(NC(C)=O)c3)s2)ccc2[nH]ncc12
InChIInChI=1S/C19H18N6OS/c1-3-14-15-10-20-23-17(15)8-7-16(14)22-19-25-24-18(27-19)12-5-4-6-13(9-12)21-11(2)26/h4-10H,3H2,1-2H3,(H,20,23)(H,21,26)(H,22,25)
InChIKeyUEYWPJPMCOYKCW-UHFFFAOYSA-N
MW378.46 g/mol
LogP4.35
Rot. Bonds5

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

N-[3-[5-[(4-ethyl-1H-indazol-5-yl)amino]-1,3,4-thiadiazol-2-yl]phenyl]acetamide (PubChem CID 134399035) has the molecular formula C19H18N6OS and a molecular weight of 378.46 g/mol. Its IUPAC name is N-[3-[5-[(4-ethyl-1H-indazol-5-yl)amino]-1,3,4-thiadiazol-2-yl]phenyl]acetamide.

Molecular Properties

Compound NameN-[3-[5-[(4-ethyl-1H-indazol-5-yl)amino]-1,3,4-thiadiazol-2-yl]phenyl]acetamide
PubChem CID134399035
Molecular FormulaC19H18N6OS
Molecular Weight378.46 g/mol
Exact Mass378.13
IUPAC NameN-[3-[5-[(4-ethyl-1H-indazol-5-yl)amino]-1,3,4-thiadiazol-2-yl]phenyl]acetamide
SMILESCCc1c(Nc2nnc(-c3cccc(NC(C)=O)c3)s2)ccc2[nH]ncc12
InChIInChI=1S/C19H18N6OS/c1-3-14-15-10-20-23-17(15)8-7-16(14)22-19-25-24-18(27-19)12-5-4-6-13(9-12)21-11(2)26/h4-10H,3H2,1-2H3,(H,20,23)(H,21,26)(H,22,25)
InChIKeyUEYWPJPMCOYKCW-UHFFFAOYSA-N
XLogP4.35
TPSA95.59 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.46
LogP ≤ 54.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[3-[5-[(4-ethyl-1H-indazol-5-yl)amino]-1,3,4-thiadiazol-2-yl]phenyl]acetamide?
The IUPAC name of N-[3-[5-[(4-ethyl-1H-indazol-5-yl)amino]-1,3,4-thiadiazol-2-yl]phenyl]acetamide (CID 134399035) is N-[3-[5-[(4-ethyl-1H-indazol-5-yl)amino]-1,3,4-thiadiazol-2-yl]phenyl]acetamide.
What is the SMILES notation for N-[3-[5-[(4-ethyl-1H-indazol-5-yl)amino]-1,3,4-thiadiazol-2-yl]phenyl]acetamide?
The canonical SMILES for N-[3-[5-[(4-ethyl-1H-indazol-5-yl)amino]-1,3,4-thiadiazol-2-yl]phenyl]acetamide is CCc1c(Nc2nnc(-c3cccc(NC(C)=O)c3)s2)ccc2[nH]ncc12.
What is the InChIKey of N-[3-[5-[(4-ethyl-1H-indazol-5-yl)amino]-1,3,4-thiadiazol-2-yl]phenyl]acetamide?
The InChIKey is UEYWPJPMCOYKCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N6OS/c1-3-14-15-10-20-23-17(15)8-7-16(14)22-19-25-24-18(27-19)12-5-4-6-13(9-12)21-11(2)26/h4-10H,3H2,1-2H3,(H,20,23)(H,21,26)(H,22,25).
What are the key properties of N-[3-[5-[(4-ethyl-1H-indazol-5-yl)amino]-1,3,4-thiadiazol-2-yl]phenyl]acetamide?
N-[3-[5-[(4-ethyl-1H-indazol-5-yl)amino]-1,3,4-thiadiazol-2-yl]phenyl]acetamide has a molecular weight of 378.46 g/mol, XLogP of 4.35, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[5-[(4-ethyl-1H-indazol-5-yl)amino]-1,3,4-thiadiazol-2-yl]phenyl]acetamide is sourced from PubChem (CID 134399035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).