N-(4-chloro-1H-indazol-5-yl)-3-[3-(3-methyl-2H-imidazol-1-yl)phenyl]-1,2,4-thiadiazol-5-amine

C19H16ClN7S — CID 139465287

IUPACN-(4-chloro-1H-indazol-5-yl)-3-[3-(3-methyl-2H-imidazol-1-yl)phenyl]-1,2,4-thiadiazol-5-amine
SMILESCN1C=CN(c2cccc(-c3nsc(Nc4ccc5[nH]ncc5c4Cl)n3)c2)C1
InChIInChI=1S/C19H16ClN7S/c1-26-7-8-27(11-26)13-4-2-3-12(9-13)18-23-19(28-25-18)22-16-6-5-15-14(17(16)20)10-21-24-15/h2-10H,11H2,1H3,(H,21,24)(H,22,23,25)
InChIKeyLQJRTKKPMUJYBC-UHFFFAOYSA-N
MW409.91 g/mol
LogP4.66
Rot. Bonds4

About N-(4-chloro-1H-indazol-5-yl)-3-[3-(3-methyl-2H-imidazol-1-yl)phenyl]-1,2,4-thiadiazol-5-amine

N-(4-chloro-1H-indazol-5-yl)-3-[3-(3-methyl-2H-imidazol-1-yl)phenyl]-1,2,4-thiadiazol-5-amine (PubChem CID 139465287) has the molecular formula C19H16ClN7S and a molecular weight of 409.91 g/mol. Its IUPAC name is N-(4-chloro-1H-indazol-5-yl)-3-[3-(3-methyl-2H-imidazol-1-yl)phenyl]-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound NameN-(4-chloro-1H-indazol-5-yl)-3-[3-(3-methyl-2H-imidazol-1-yl)phenyl]-1,2,4-thiadiazol-5-amine
PubChem CID139465287
Molecular FormulaC19H16ClN7S
Molecular Weight409.91 g/mol
Exact Mass409.09
IUPAC NameN-(4-chloro-1H-indazol-5-yl)-3-[3-(3-methyl-2H-imidazol-1-yl)phenyl]-1,2,4-thiadiazol-5-amine
SMILESCN1C=CN(c2cccc(-c3nsc(Nc4ccc5[nH]ncc5c4Cl)n3)c2)C1
InChIInChI=1S/C19H16ClN7S/c1-26-7-8-27(11-26)13-4-2-3-12(9-13)18-23-19(28-25-18)22-16-6-5-15-14(17(16)20)10-21-24-15/h2-10H,11H2,1H3,(H,21,24)(H,22,23,25)
InChIKeyLQJRTKKPMUJYBC-UHFFFAOYSA-N
XLogP4.66
TPSA72.97 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.91
LogP ≤ 54.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

[3-[5-[(4-chloro-1H-indazol-5-yl)amino]-1,2,4-thiadiazol-3-yl]phenyl]-(4-methylpiperazin-1-yl)methanone
CID 139481865
methyl 3-[5-[(4-chloro-1H-indazol-5-yl)amino]-1,2,4-thiadiazol-3-yl]benzoate
CID 134284996
N-(4-chloro-1H-indazol-5-yl)-3-(3-methylsulfonylphenyl)-1,2,4-thiadiazol-5-amine;2,2,2-trifluoroacetic acid
CID 157412780
5-[5-[(4-chloro-1H-indazol-5-yl)amino]-1,2,4-thiadiazol-3-yl]-1-methyl-2-oxopyridine-3-carboxylic acid
CID 139481585
5-[5-[(4-chloro-1H-indazol-5-yl)amino]-1,2,4-thiadiazol-3-yl]-N,1-dimethyl-2-oxopyridine-3-carboxamide
CID 139481550
2-[3-[5-[(4-chloro-1H-indazol-5-yl)amino]-1,2,4-thiadiazol-3-yl]phenoxy]-N-propan-2-ylacetamide
CID 139481726
2-[3-[5-[(4-chloro-1H-indazol-5-yl)amino]-1,2,4-thiadiazol-3-yl]phenyl]-1-(3-methyltriazol-4-yl)ethanone;2,2,2-trifluoroacetic acid
CID 162248037
N-(4-chloro-1H-indazol-5-yl)-3-[3-(4-methyl-1,3-oxazol-2-yl)phenyl]-1,2,4-thiadiazol-5-amine;2,2,2-trifluoroacetic acid
CID 162330799
5-[5-[(4-chloro-1H-indazol-5-yl)amino]-1,2,4-thiadiazol-3-yl]-2-fluoro-N-propan-2-ylbenzamide;2,2,2-trifluoroacetic acid
CID 159374831
N-(4-chloro-1H-indazol-5-yl)-3-[6-methyl-4-(4-methyl-1,3-oxazol-2-yl)-2-pyridinyl]-1,2,4-thiadiazol-5-amine
CID 139482107
2-[4-[5-[(4-chloro-1H-indazol-5-yl)amino]-1,2,4-thiadiazol-3-yl]-2-pyridinyl]-1,5-dimethylpyrazol-3-one;2,2,2-trifluoroacetic acid
CID 162336457
N-[4-[5-[(4-chloro-1H-indazol-5-yl)amino]-1,2,4-thiadiazol-3-yl]-2-pyridinyl]-3-methylmorpholine-4-carboxamide
CID 139481607

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-1H-indazol-5-yl)-3-[3-(3-methyl-2H-imidazol-1-yl)phenyl]-1,2,4-thiadiazol-5-amine?
The IUPAC name of N-(4-chloro-1H-indazol-5-yl)-3-[3-(3-methyl-2H-imidazol-1-yl)phenyl]-1,2,4-thiadiazol-5-amine (CID 139465287) is N-(4-chloro-1H-indazol-5-yl)-3-[3-(3-methyl-2H-imidazol-1-yl)phenyl]-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for N-(4-chloro-1H-indazol-5-yl)-3-[3-(3-methyl-2H-imidazol-1-yl)phenyl]-1,2,4-thiadiazol-5-amine?
The canonical SMILES for N-(4-chloro-1H-indazol-5-yl)-3-[3-(3-methyl-2H-imidazol-1-yl)phenyl]-1,2,4-thiadiazol-5-amine is CN1C=CN(c2cccc(-c3nsc(Nc4ccc5[nH]ncc5c4Cl)n3)c2)C1.
What is the InChIKey of N-(4-chloro-1H-indazol-5-yl)-3-[3-(3-methyl-2H-imidazol-1-yl)phenyl]-1,2,4-thiadiazol-5-amine?
The InChIKey is LQJRTKKPMUJYBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClN7S/c1-26-7-8-27(11-26)13-4-2-3-12(9-13)18-23-19(28-25-18)22-16-6-5-15-14(17(16)20)10-21-24-15/h2-10H,11H2,1H3,(H,21,24)(H,22,23,25).
What are the key properties of N-(4-chloro-1H-indazol-5-yl)-3-[3-(3-methyl-2H-imidazol-1-yl)phenyl]-1,2,4-thiadiazol-5-amine?
N-(4-chloro-1H-indazol-5-yl)-3-[3-(3-methyl-2H-imidazol-1-yl)phenyl]-1,2,4-thiadiazol-5-amine has a molecular weight of 409.91 g/mol, XLogP of 4.66, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-1H-indazol-5-yl)-3-[3-(3-methyl-2H-imidazol-1-yl)phenyl]-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 139465287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).