(4-ethylthiadiazol-5-yl)-[4-(3-methylphenyl)piperazin-1-yl]methanone

C16H20N4OS — CID 30543853

IUPAC(4-ethylthiadiazol-5-yl)-[4-(3-methylphenyl)piperazin-1-yl]methanone
SMILESCCc1nnsc1C(=O)N1CCN(c2cccc(C)c2)CC1
InChIInChI=1S/C16H20N4OS/c1-3-14-15(22-18-17-14)16(21)20-9-7-19(8-10-20)13-6-4-5-12(2)11-13/h4-6,11H,3,7-10H2,1-2H3
InChIKeyLKBKWSVIFXITLK-UHFFFAOYSA-N
MW316.43 g/mol
LogP2.37
Rot. Bonds3

About (4-ethylthiadiazol-5-yl)-[4-(3-methylphenyl)piperazin-1-yl]methanone

(4-ethylthiadiazol-5-yl)-[4-(3-methylphenyl)piperazin-1-yl]methanone (PubChem CID 30543853) has the molecular formula C16H20N4OS and a molecular weight of 316.43 g/mol. Its IUPAC name is (4-ethylthiadiazol-5-yl)-[4-(3-methylphenyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(4-ethylthiadiazol-5-yl)-[4-(3-methylphenyl)piperazin-1-yl]methanone
PubChem CID30543853
Molecular FormulaC16H20N4OS
Molecular Weight316.43 g/mol
Exact Mass316.14
IUPAC Name(4-ethylthiadiazol-5-yl)-[4-(3-methylphenyl)piperazin-1-yl]methanone
SMILESCCc1nnsc1C(=O)N1CCN(c2cccc(C)c2)CC1
InChIInChI=1S/C16H20N4OS/c1-3-14-15(22-18-17-14)16(21)20-9-7-19(8-10-20)13-6-4-5-12(2)11-13/h4-6,11H,3,7-10H2,1-2H3
InChIKeyLKBKWSVIFXITLK-UHFFFAOYSA-N
XLogP2.37
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.43
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(4-ethylthiadiazol-5-yl)-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone
CID 34829975
(3-ethyl-2-pyridinyl)-[4-(3-methylphenyl)piperazin-1-yl]methanone
CID 136519004
2-amino-2-ethyl-1-[4-(3-methylphenyl)piperazin-1-yl]butan-1-one
CID 79813373
4-[4-(3-methylphenyl)piperazine-1-carbonyl]benzoic acid
CID 2051711
2-amino-1-[4-(3-methylphenyl)piperazin-1-yl]ethanone;dihydrochloride
CID 119837589
[4-(2,6-dimethylphenoxy)piperidin-1-yl]-(4-ethylthiadiazol-5-yl)methanone
CID 56814277
[2-(diethylamino)-6-methylpyrimidin-4-yl]-[4-(3-methylphenyl)piperazin-1-yl]methanone
CID 109332044
(4-ethylthiadiazol-5-yl)-[4-[(4-methylphenyl)methyl]-1,4-diazepan-1-yl]methanone
CID 43074850
[4-(3-methylphenyl)piperazin-1-yl]-(5-methyl-2-phenyltriazol-4-yl)methanone
CID 27049072
N,N-diethyl-6-[4-(3-methylphenyl)piperazine-1-carbonyl]pyridine-2-carboxamide
CID 109098913
[1-(3-bromophenyl)-5-methyltriazol-4-yl]-[4-(3-methylphenyl)piperazin-1-yl]methanone
CID 55871321
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-(3-methylphenyl)piperazine-1-carboxamide
CID 154738743

Frequently Asked Questions

What is the IUPAC name of (4-ethylthiadiazol-5-yl)-[4-(3-methylphenyl)piperazin-1-yl]methanone?
The IUPAC name of (4-ethylthiadiazol-5-yl)-[4-(3-methylphenyl)piperazin-1-yl]methanone (CID 30543853) is (4-ethylthiadiazol-5-yl)-[4-(3-methylphenyl)piperazin-1-yl]methanone.
What is the SMILES notation for (4-ethylthiadiazol-5-yl)-[4-(3-methylphenyl)piperazin-1-yl]methanone?
The canonical SMILES for (4-ethylthiadiazol-5-yl)-[4-(3-methylphenyl)piperazin-1-yl]methanone is CCc1nnsc1C(=O)N1CCN(c2cccc(C)c2)CC1.
What is the InChIKey of (4-ethylthiadiazol-5-yl)-[4-(3-methylphenyl)piperazin-1-yl]methanone?
The InChIKey is LKBKWSVIFXITLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4OS/c1-3-14-15(22-18-17-14)16(21)20-9-7-19(8-10-20)13-6-4-5-12(2)11-13/h4-6,11H,3,7-10H2,1-2H3.
What are the key properties of (4-ethylthiadiazol-5-yl)-[4-(3-methylphenyl)piperazin-1-yl]methanone?
(4-ethylthiadiazol-5-yl)-[4-(3-methylphenyl)piperazin-1-yl]methanone has a molecular weight of 316.43 g/mol, XLogP of 2.37, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethylthiadiazol-5-yl)-[4-(3-methylphenyl)piperazin-1-yl]methanone is sourced from PubChem (CID 30543853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).