1H-indazol-3-yl-[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]methanone

C15H16N6OS — CID 75374117

IUPAC1H-indazol-3-yl-[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]methanone
SMILESCc1nsc(N2CCN(C(=O)c3n[nH]c4ccccc34)CC2)n1
InChIInChI=1S/C15H16N6OS/c1-10-16-15(23-19-10)21-8-6-20(7-9-21)14(22)13-11-4-2-3-5-12(11)17-18-13/h2-5H,6-9H2,1H3,(H,17,18)
InChIKeyDYZKQUZUVKPJBF-UHFFFAOYSA-N
MW328.40 g/mol
LogP1.69
Rot. Bonds2

About 1H-indazol-3-yl-[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]methanone

1H-indazol-3-yl-[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]methanone (PubChem CID 75374117) has the molecular formula C15H16N6OS and a molecular weight of 328.40 g/mol. Its IUPAC name is 1H-indazol-3-yl-[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name1H-indazol-3-yl-[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]methanone
PubChem CID75374117
Molecular FormulaC15H16N6OS
Molecular Weight328.40 g/mol
Exact Mass328.11
IUPAC Name1H-indazol-3-yl-[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]methanone
SMILESCc1nsc(N2CCN(C(=O)c3n[nH]c4ccccc34)CC2)n1
InChIInChI=1S/C15H16N6OS/c1-10-16-15(23-19-10)21-8-6-20(7-9-21)14(22)13-11-4-2-3-5-12(11)17-18-13/h2-5H,6-9H2,1H3,(H,17,18)
InChIKeyDYZKQUZUVKPJBF-UHFFFAOYSA-N
XLogP1.69
TPSA78.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.40
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[4-(1H-indazole-3-carbonyl)piperazin-1-yl]-(1H-indazol-3-yl)methanone
CID 170858800
(2-hydroxyphenyl)-[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]methanone
CID 71980627
1H-indazol-3-yl-(4-phenylpiperazin-1-yl)methanone
CID 7595065
1H-indazol-3-yl-(4-pyridin-4-ylpiperazin-1-yl)methanone
CID 9228509
tert-butyl 4-(1H-indazole-3-carbonyl)piperazine-1-carboxylate
CID 31517577
1H-indazol-3-yl-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 25334509
(2,3-dichlorophenyl)-[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]methanone
CID 133328039
1-[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]ethanone
CID 133328044
1H-indazol-3-yl-[4-[2-(trifluoromethyl)phenyl]piperazin-1-yl]methanone
CID 90772263
1-[4-(1H-indazole-3-carbonyl)piperazin-1-yl]-2-morpholin-4-ylethane-1,2-dione
CID 41363693
3-amino-1-[4-(1H-indazole-3-carbonyl)piperazin-1-yl]propan-1-one
CID 170858311
(2S)-1-[4-(1H-indazole-3-carbonyl)piperazin-1-yl]-2-methylsulfanylpropan-1-one
CID 95295053

Frequently Asked Questions

What is the IUPAC name of 1H-indazol-3-yl-[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]methanone?
The IUPAC name of 1H-indazol-3-yl-[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]methanone (CID 75374117) is 1H-indazol-3-yl-[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]methanone.
What is the SMILES notation for 1H-indazol-3-yl-[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]methanone?
The canonical SMILES for 1H-indazol-3-yl-[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]methanone is Cc1nsc(N2CCN(C(=O)c3n[nH]c4ccccc34)CC2)n1.
What is the InChIKey of 1H-indazol-3-yl-[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]methanone?
The InChIKey is DYZKQUZUVKPJBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N6OS/c1-10-16-15(23-19-10)21-8-6-20(7-9-21)14(22)13-11-4-2-3-5-12(11)17-18-13/h2-5H,6-9H2,1H3,(H,17,18).
What are the key properties of 1H-indazol-3-yl-[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]methanone?
1H-indazol-3-yl-[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]methanone has a molecular weight of 328.40 g/mol, XLogP of 1.69, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-indazol-3-yl-[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]methanone is sourced from PubChem (CID 75374117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).