(4-tert-butylthiadiazol-5-yl)-(2-methylpiperazin-1-yl)methanone

C12H20N4OS — CID 65210533

IUPAC(4-tert-butylthiadiazol-5-yl)-(2-methylpiperazin-1-yl)methanone
SMILESCC1CNCCN1C(=O)c1snnc1C(C)(C)C
InChIInChI=1S/C12H20N4OS/c1-8-7-13-5-6-16(8)11(17)9-10(12(2,3)4)14-15-18-9/h8,13H,5-7H2,1-4H3
InChIKeyAAFWDIGNZMWCDG-UHFFFAOYSA-N
MW268.39 g/mol
LogP1.27
Rot. Bonds1

About (4-tert-butylthiadiazol-5-yl)-(2-methylpiperazin-1-yl)methanone

(4-tert-butylthiadiazol-5-yl)-(2-methylpiperazin-1-yl)methanone (PubChem CID 65210533) has the molecular formula C12H20N4OS and a molecular weight of 268.39 g/mol. Its IUPAC name is (4-tert-butylthiadiazol-5-yl)-(2-methylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(4-tert-butylthiadiazol-5-yl)-(2-methylpiperazin-1-yl)methanone
PubChem CID65210533
Molecular FormulaC12H20N4OS
Molecular Weight268.39 g/mol
Exact Mass268.14
IUPAC Name(4-tert-butylthiadiazol-5-yl)-(2-methylpiperazin-1-yl)methanone
SMILESCC1CNCCN1C(=O)c1snnc1C(C)(C)C
InChIInChI=1S/C12H20N4OS/c1-8-7-13-5-6-16(8)11(17)9-10(12(2,3)4)14-15-18-9/h8,13H,5-7H2,1-4H3
InChIKeyAAFWDIGNZMWCDG-UHFFFAOYSA-N
XLogP1.27
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.39
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (4-tert-butylthiadiazol-5-yl)-(2-methylpiperazin-1-yl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[(2S)-2-methylpiperazin-1-yl]-(4-propylthiadiazol-5-yl)methanone
CID 82755339
[(2R)-2-methylpiperazin-1-yl]-(4-propylthiadiazol-5-yl)methanone
CID 82755954
(4-ethylthiadiazol-5-yl)-(2-methylpiperazin-1-yl)methanone;hydrochloride
CID 119470559
[4-(azetidin-3-yl)piperazin-1-yl]-(4-tert-butylthiadiazol-5-yl)methanone
CID 66202912
4-tert-butyl-N-[(3S)-pyrrolidin-3-yl]thiadiazole-5-carboxamide
CID 79687974
(4-tert-butylthiadiazol-5-yl)-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]methanone
CID 102784557
(4-tert-butylphenyl)-(2-methylpiperazin-1-yl)methanone
CID 62673639
(4-tert-butylphenyl)-[(2S)-2-methylpiperazin-1-yl]methanone
CID 82705106
(5-tert-butyl-1H-pyrazol-3-yl)-(2-methylpiperazin-1-yl)methanone;hydrochloride
CID 119473002
(2S)-2-methylpiperazine-1-carboxamide
CID 66855874
1-[4-(4-tert-butylthiadiazole-5-carbonyl)piperazin-1-yl]-3-cyclopentylpropan-1-one
CID 86807038
(2-cyclopentyl-4-methyl-1,3-thiazol-5-yl)-(2-methylpiperazin-1-yl)methanone
CID 119473197

Frequently Asked Questions

What is the IUPAC name of (4-tert-butylthiadiazol-5-yl)-(2-methylpiperazin-1-yl)methanone?
The IUPAC name of (4-tert-butylthiadiazol-5-yl)-(2-methylpiperazin-1-yl)methanone (CID 65210533) is (4-tert-butylthiadiazol-5-yl)-(2-methylpiperazin-1-yl)methanone.
What is the SMILES notation for (4-tert-butylthiadiazol-5-yl)-(2-methylpiperazin-1-yl)methanone?
The canonical SMILES for (4-tert-butylthiadiazol-5-yl)-(2-methylpiperazin-1-yl)methanone is CC1CNCCN1C(=O)c1snnc1C(C)(C)C.
What is the InChIKey of (4-tert-butylthiadiazol-5-yl)-(2-methylpiperazin-1-yl)methanone?
The InChIKey is AAFWDIGNZMWCDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4OS/c1-8-7-13-5-6-16(8)11(17)9-10(12(2,3)4)14-15-18-9/h8,13H,5-7H2,1-4H3.
What are the key properties of (4-tert-butylthiadiazol-5-yl)-(2-methylpiperazin-1-yl)methanone?
(4-tert-butylthiadiazol-5-yl)-(2-methylpiperazin-1-yl)methanone has a molecular weight of 268.39 g/mol, XLogP of 1.27, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-tert-butylthiadiazol-5-yl)-(2-methylpiperazin-1-yl)methanone is sourced from PubChem (CID 65210533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).