(4-methylthiadiazol-5-yl)-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-1-yl]methanone

C18H24N4O3S2 — CID 9086255

IUPAC(4-methylthiadiazol-5-yl)-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-1-yl]methanone
SMILESCc1cc(C)c(C)c(S(=O)(=O)N2CCN(C(=O)c3snnc3C)CC2)c1C
InChIInChI=1S/C18H24N4O3S2/c1-11-10-12(2)14(4)17(13(11)3)27(24,25)22-8-6-21(7-9-22)18(23)16-15(5)19-20-26-16/h10H,6-9H2,1-5H3
InChIKeyBFTHCMWAICFOCB-UHFFFAOYSA-N
MW408.55 g/mol
LogP2.23
Rot. Bonds3

About (4-methylthiadiazol-5-yl)-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-1-yl]methanone

(4-methylthiadiazol-5-yl)-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-1-yl]methanone (PubChem CID 9086255) has the molecular formula C18H24N4O3S2 and a molecular weight of 408.55 g/mol. Its IUPAC name is (4-methylthiadiazol-5-yl)-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-1-yl]methanone.

Molecular Properties

Compound Name(4-methylthiadiazol-5-yl)-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-1-yl]methanone
PubChem CID9086255
Molecular FormulaC18H24N4O3S2
Molecular Weight408.55 g/mol
Exact Mass408.13
IUPAC Name(4-methylthiadiazol-5-yl)-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-1-yl]methanone
SMILESCc1cc(C)c(C)c(S(=O)(=O)N2CCN(C(=O)c3snnc3C)CC2)c1C
InChIInChI=1S/C18H24N4O3S2/c1-11-10-12(2)14(4)17(13(11)3)27(24,25)22-8-6-21(7-9-22)18(23)16-15(5)19-20-26-16/h10H,6-9H2,1-5H3
InChIKeyBFTHCMWAICFOCB-UHFFFAOYSA-N
XLogP2.23
TPSA83.47 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.55
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-(4-methylthiadiazol-5-yl)methanone
CID 9086285
(4-methylphenyl)-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-1-yl]methanone
CID 2674216
1-[5-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazine-1-carbonyl]thiophen-2-yl]ethanone
CID 46651338
1-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-1-yl]prop-2-en-1-one
CID 166405047
(2-chloro-4-pyridinyl)-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-1-yl]methanone
CID 32695876
pyridin-3-yl-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-1-yl]methanone
CID 9496594
2-amino-1-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-1-yl]ethanone
CID 119265641
5-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazine-1-carbonyl]-1H-pyridin-2-one
CID 7595013
[4-(aminomethyl)piperidin-1-yl]-(4-methylthiadiazol-5-yl)methanone;hydrochloride
CID 127266388
[4-(bromomethyl)piperidin-1-yl]-(4-methylthiadiazol-5-yl)methanone
CID 80678677
(3-phenylimidazol-4-yl)-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-1-yl]methanone
CID 25466506
cyclopropyl-[4-(2,3,5,6-tetramethylphenyl)sulfonyl-1,4-diazepan-1-yl]methanone
CID 110797136

Frequently Asked Questions

What is the IUPAC name of (4-methylthiadiazol-5-yl)-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-1-yl]methanone?
The IUPAC name of (4-methylthiadiazol-5-yl)-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-1-yl]methanone (CID 9086255) is (4-methylthiadiazol-5-yl)-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-1-yl]methanone.
What is the SMILES notation for (4-methylthiadiazol-5-yl)-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-1-yl]methanone?
The canonical SMILES for (4-methylthiadiazol-5-yl)-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-1-yl]methanone is Cc1cc(C)c(C)c(S(=O)(=O)N2CCN(C(=O)c3snnc3C)CC2)c1C.
What is the InChIKey of (4-methylthiadiazol-5-yl)-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-1-yl]methanone?
The InChIKey is BFTHCMWAICFOCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O3S2/c1-11-10-12(2)14(4)17(13(11)3)27(24,25)22-8-6-21(7-9-22)18(23)16-15(5)19-20-26-16/h10H,6-9H2,1-5H3.
What are the key properties of (4-methylthiadiazol-5-yl)-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-1-yl]methanone?
(4-methylthiadiazol-5-yl)-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-1-yl]methanone has a molecular weight of 408.55 g/mol, XLogP of 2.23, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylthiadiazol-5-yl)-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-1-yl]methanone is sourced from PubChem (CID 9086255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).