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

C19H16N6OS — CID 122522762

IUPACN-[3-[5-[(4-ethenyl-1H-indazol-5-yl)amino]-1,3,4-thiadiazol-2-yl]phenyl]acetamide
SMILESC=Cc1c(Nc2nnc(-c3cccc(NC(C)=O)c3)s2)ccc2[nH]ncc12
InChIInChI=1S/C19H16N6OS/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/h3-10H,1H2,2H3,(H,20,23)(H,21,26)(H,22,25)
InChIKeyIPCRWZVOLLADDO-UHFFFAOYSA-N
MW376.45 g/mol
LogP4.43
Rot. Bonds5

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

N-[3-[5-[(4-ethenyl-1H-indazol-5-yl)amino]-1,3,4-thiadiazol-2-yl]phenyl]acetamide (PubChem CID 122522762) has the molecular formula C19H16N6OS and a molecular weight of 376.45 g/mol. Its IUPAC name is N-[3-[5-[(4-ethenyl-1H-indazol-5-yl)amino]-1,3,4-thiadiazol-2-yl]phenyl]acetamide.

Molecular Properties

Compound NameN-[3-[5-[(4-ethenyl-1H-indazol-5-yl)amino]-1,3,4-thiadiazol-2-yl]phenyl]acetamide
PubChem CID122522762
Molecular FormulaC19H16N6OS
Molecular Weight376.45 g/mol
Exact Mass376.11
IUPAC NameN-[3-[5-[(4-ethenyl-1H-indazol-5-yl)amino]-1,3,4-thiadiazol-2-yl]phenyl]acetamide
SMILESC=Cc1c(Nc2nnc(-c3cccc(NC(C)=O)c3)s2)ccc2[nH]ncc12
InChIInChI=1S/C19H16N6OS/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/h3-10H,1H2,2H3,(H,20,23)(H,21,26)(H,22,25)
InChIKeyIPCRWZVOLLADDO-UHFFFAOYSA-N
XLogP4.43
TPSA95.59 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.45
LogP ≤ 54.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

4-methoxy-N-[3-[5-[(4-methyl-1H-indazol-5-yl)amino]-1,3,4-thiadiazol-2-yl]phenyl]benzamide
CID 145146561
N-(4-chloro-1H-indazol-5-yl)-5-[3-(methylamino)phenyl]-1,3,4-thiadiazol-2-amine
CID 145146620
N-[3-[5-[(4-chloro-1H-indazol-5-yl)amino]-1,3,4-thiadiazol-2-yl]phenyl]-2-methoxypyrimidine-5-carboxamide
CID 122522623
N-[3-[5-[(4-chloro-1H-indazol-5-yl)amino]-1,3,4-thiadiazol-2-yl]phenyl]-2-(5-methyl-2-pyridinyl)acetamide
CID 122522657
N-[3-[5-[(4-chloro-1H-indazol-5-yl)amino]-1,3,4-thiadiazol-2-yl]-5-(hydroxymethyl)phenyl]acetamide
CID 122522580
N-[3-[5-[(4-chloro-1H-indazol-5-yl)amino]-1,3,4-thiadiazol-2-yl]phenyl]-2-pyridin-2-ylpropanamide
CID 122522827
N-[3-[5-[(4-chloro-1H-indazol-5-yl)amino]-1,3,4-thiadiazol-2-yl]-5-(1,3-oxazol-2-yl)phenyl]acetamide
CID 134398901
N-[5-[5-[(4-chloro-1H-indazol-5-yl)amino]-1,3,4-thiadiazol-2-yl]-1-methyl-2-oxo-3-pyridinyl]acetamide
CID 122507541
N-[3-[5-(1H-indazol-5-ylamino)-1,3,4-thiadiazol-2-yl]phenyl]-5-methyl-1H-pyrazole-3-carboxamide
CID 122507386
N-[3-[5-[[4-(trifluoromethyl)-1H-isoindol-5-yl]amino]-1,3,4-thiadiazol-2-yl]phenyl]acetamide
CID 148605297
N-[3-(1H-indazol-5-yl)phenyl]acetamide
CID 56712448
N-[3-[5-(1H-indazol-5-ylamino)-1,3,4-thiadiazol-2-yl]phenyl]-4-(methylaminomethyl)benzamide
CID 122522830

Frequently Asked Questions

What is the IUPAC name of N-[3-[5-[(4-ethenyl-1H-indazol-5-yl)amino]-1,3,4-thiadiazol-2-yl]phenyl]acetamide?
The IUPAC name of N-[3-[5-[(4-ethenyl-1H-indazol-5-yl)amino]-1,3,4-thiadiazol-2-yl]phenyl]acetamide (CID 122522762) is N-[3-[5-[(4-ethenyl-1H-indazol-5-yl)amino]-1,3,4-thiadiazol-2-yl]phenyl]acetamide.
What is the SMILES notation for N-[3-[5-[(4-ethenyl-1H-indazol-5-yl)amino]-1,3,4-thiadiazol-2-yl]phenyl]acetamide?
The canonical SMILES for N-[3-[5-[(4-ethenyl-1H-indazol-5-yl)amino]-1,3,4-thiadiazol-2-yl]phenyl]acetamide is C=Cc1c(Nc2nnc(-c3cccc(NC(C)=O)c3)s2)ccc2[nH]ncc12.
What is the InChIKey of N-[3-[5-[(4-ethenyl-1H-indazol-5-yl)amino]-1,3,4-thiadiazol-2-yl]phenyl]acetamide?
The InChIKey is IPCRWZVOLLADDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N6OS/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/h3-10H,1H2,2H3,(H,20,23)(H,21,26)(H,22,25).
What are the key properties of N-[3-[5-[(4-ethenyl-1H-indazol-5-yl)amino]-1,3,4-thiadiazol-2-yl]phenyl]acetamide?
N-[3-[5-[(4-ethenyl-1H-indazol-5-yl)amino]-1,3,4-thiadiazol-2-yl]phenyl]acetamide has a molecular weight of 376.45 g/mol, XLogP of 4.43, 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-ethenyl-1H-indazol-5-yl)amino]-1,3,4-thiadiazol-2-yl]phenyl]acetamide is sourced from PubChem (CID 122522762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).