(4-ethylphenyl)-[4-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]methanone

C18H24N4OS — CID 133335459

IUPAC(4-ethylphenyl)-[4-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]methanone
SMILESCCc1ccc(C(=O)N2CCN(c3nc(C(C)C)ns3)CC2)cc1
InChIInChI=1S/C18H24N4OS/c1-4-14-5-7-15(8-6-14)17(23)21-9-11-22(12-10-21)18-19-16(13(2)3)20-24-18/h5-8,13H,4,9-12H2,1-3H3
InChIKeyWQYNHLXRZFWJNN-UHFFFAOYSA-N
MW344.48 g/mol
LogP3.19
Rot. Bonds4

About (4-ethylphenyl)-[4-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]methanone

(4-ethylphenyl)-[4-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]methanone (PubChem CID 133335459) has the molecular formula C18H24N4OS and a molecular weight of 344.48 g/mol. Its IUPAC name is (4-ethylphenyl)-[4-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(4-ethylphenyl)-[4-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]methanone
PubChem CID133335459
Molecular FormulaC18H24N4OS
Molecular Weight344.48 g/mol
Exact Mass344.17
IUPAC Name(4-ethylphenyl)-[4-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]methanone
SMILESCCc1ccc(C(=O)N2CCN(c3nc(C(C)C)ns3)CC2)cc1
InChIInChI=1S/C18H24N4OS/c1-4-14-5-7-15(8-6-14)17(23)21-9-11-22(12-10-21)18-19-16(13(2)3)20-24-18/h5-8,13H,4,9-12H2,1-3H3
InChIKeyWQYNHLXRZFWJNN-UHFFFAOYSA-N
XLogP3.19
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.48
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(4-ethylphenyl)-[4-[3-(methoxymethyl)-1,2,4-thiadiazol-5-yl]piperazin-1-yl]methanone
CID 133335458
[4-(3-ethyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]-(4-fluorophenyl)methanone
CID 133333010
(4-bromophenyl)-[4-(3-ethyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]methanone
CID 133332965
[4-(3-ethyl-1,2,4-thiadiazol-5-yl)-1,4-diazepan-1-yl]-(4-methoxyphenyl)methanone
CID 71989309
[4-[2-(aminomethyl)-1,3-thiazole-4-carbonyl]piperazin-1-yl]-(4-ethylphenyl)methanone;hydrochloride
CID 119729984
(4-ethylphenyl)-[4-(pyridazine-4-carbonyl)piperazin-1-yl]methanone
CID 146084360
(4-bromophenyl)-[4-[3-[(4-fluorophenyl)methyl]-1,2,4-thiadiazol-5-yl]piperazin-1-yl]methanone
CID 4272588
[4-(3-benzyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]-(4-methoxyphenyl)methanone
CID 3628935
[4-[4-(difluoromethylsulfanyl)benzoyl]piperazin-1-yl]-(4-ethylphenyl)methanone
CID 32772704
[4-(difluoromethyl)piperidin-1-yl]-(4-ethylphenyl)methanone
CID 118929982
2-[4-(4-ethylbenzoyl)piperazin-1-yl]propanenitrile
CID 63337287
(2R)-1-[4-(4-ethylbenzoyl)piperazin-1-yl]-2-methoxybutan-1-one
CID 94795992

Frequently Asked Questions

What is the IUPAC name of (4-ethylphenyl)-[4-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]methanone?
The IUPAC name of (4-ethylphenyl)-[4-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]methanone (CID 133335459) is (4-ethylphenyl)-[4-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]methanone.
What is the SMILES notation for (4-ethylphenyl)-[4-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]methanone?
The canonical SMILES for (4-ethylphenyl)-[4-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]methanone is CCc1ccc(C(=O)N2CCN(c3nc(C(C)C)ns3)CC2)cc1.
What is the InChIKey of (4-ethylphenyl)-[4-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]methanone?
The InChIKey is WQYNHLXRZFWJNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4OS/c1-4-14-5-7-15(8-6-14)17(23)21-9-11-22(12-10-21)18-19-16(13(2)3)20-24-18/h5-8,13H,4,9-12H2,1-3H3.
What are the key properties of (4-ethylphenyl)-[4-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]methanone?
(4-ethylphenyl)-[4-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]methanone has a molecular weight of 344.48 g/mol, XLogP of 3.19, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethylphenyl)-[4-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]methanone is sourced from PubChem (CID 133335459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).