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

C15H20N6OS — CID 86815233

IUPAC[4-(dimethylamino)-3-pyridinyl]-[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]methanone
SMILESCc1nsc(N2CCN(C(=O)c3cnccc3N(C)C)CC2)n1
InChIInChI=1S/C15H20N6OS/c1-11-17-15(23-18-11)21-8-6-20(7-9-21)14(22)12-10-16-5-4-13(12)19(2)3/h4-5,10H,6-9H2,1-3H3
InChIKeyZSCYRXURGFAZEW-UHFFFAOYSA-N
MW332.43 g/mol
LogP1.27
Rot. Bonds3

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

[4-(dimethylamino)-3-pyridinyl]-[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]methanone (PubChem CID 86815233) has the molecular formula C15H20N6OS and a molecular weight of 332.43 g/mol. Its IUPAC name is [4-(dimethylamino)-3-pyridinyl]-[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name[4-(dimethylamino)-3-pyridinyl]-[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]methanone
PubChem CID86815233
Molecular FormulaC15H20N6OS
Molecular Weight332.43 g/mol
Exact Mass332.14
IUPAC Name[4-(dimethylamino)-3-pyridinyl]-[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]methanone
SMILESCc1nsc(N2CCN(C(=O)c3cnccc3N(C)C)CC2)n1
InChIInChI=1S/C15H20N6OS/c1-11-17-15(23-18-11)21-8-6-20(7-9-21)14(22)12-10-16-5-4-13(12)19(2)3/h4-5,10H,6-9H2,1-3H3
InChIKeyZSCYRXURGFAZEW-UHFFFAOYSA-N
XLogP1.27
TPSA65.46 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.43
LogP ≤ 51.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

(2-hydroxyphenyl)-[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]methanone
CID 71980627
(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
[4-(dimethylamino)-3-pyridinyl]-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone
CID 136530737
1H-indazol-3-yl-[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]methanone
CID 75374117
(3-chlorophenyl)-[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]methanone
CID 133328030
[4-(3-methyl-1,2,4-thiadiazol-5-yl)-1,4-diazepan-1-yl]-(2H-triazol-4-yl)methanone
CID 127369900
2-amino-2-methyl-1-[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]propan-1-one;dihydrochloride
CID 119894207
[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]-(1,3,5-trimethylpyrazol-4-yl)methanone
CID 71983988
[4-(dimethylamino)-3-pyridinyl]-[4-(1-ethylpyrazol-4-yl)piperidin-1-yl]methanone
CID 126785476
1-[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]-3-phenylpropan-1-one
CID 150799132
2-methyl-1-[4-(3-methyl-1,2,4-thiadiazol-5-yl)-1,4-diazepan-1-yl]propan-1-one
CID 133332964

Frequently Asked Questions

What is the IUPAC name of [4-(dimethylamino)-3-pyridinyl]-[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]methanone?
The IUPAC name of [4-(dimethylamino)-3-pyridinyl]-[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]methanone (CID 86815233) is [4-(dimethylamino)-3-pyridinyl]-[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]methanone.
What is the SMILES notation for [4-(dimethylamino)-3-pyridinyl]-[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]methanone?
The canonical SMILES for [4-(dimethylamino)-3-pyridinyl]-[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]methanone is Cc1nsc(N2CCN(C(=O)c3cnccc3N(C)C)CC2)n1.
What is the InChIKey of [4-(dimethylamino)-3-pyridinyl]-[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]methanone?
The InChIKey is ZSCYRXURGFAZEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N6OS/c1-11-17-15(23-18-11)21-8-6-20(7-9-21)14(22)12-10-16-5-4-13(12)19(2)3/h4-5,10H,6-9H2,1-3H3.
What are the key properties of [4-(dimethylamino)-3-pyridinyl]-[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]methanone?
[4-(dimethylamino)-3-pyridinyl]-[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]methanone has a molecular weight of 332.43 g/mol, XLogP of 1.27, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(dimethylamino)-3-pyridinyl]-[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]methanone is sourced from PubChem (CID 86815233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).