(4-ethylpiperazin-1-yl)-[4-[[4-(4-methylphenyl)-5-propan-2-yl-1,2,4-triazol-3-yl]sulfanylmethyl]phenyl]methanone

C26H33N5OS — CID 83288585

IUPAC(4-ethylpiperazin-1-yl)-[4-[[4-(4-methylphenyl)-5-propan-2-yl-1,2,4-triazol-3-yl]sulfanylmethyl]phenyl]methanone
SMILESCCN1CCN(C(=O)c2ccc(CSc3nnc(C(C)C)n3-c3ccc(C)cc3)cc2)CC1
InChIInChI=1S/C26H33N5OS/c1-5-29-14-16-30(17-15-29)25(32)22-10-8-21(9-11-22)18-33-26-28-27-24(19(2)3)31(26)23-12-6-20(4)7-13-23/h6-13,19H,5,14-18H2,1-4H3
InChIKeyKWJFRFMISLLIPD-UHFFFAOYSA-N
MW463.65 g/mol
LogP4.77
Rot. Bonds7

About (4-ethylpiperazin-1-yl)-[4-[[4-(4-methylphenyl)-5-propan-2-yl-1,2,4-triazol-3-yl]sulfanylmethyl]phenyl]methanone

(4-ethylpiperazin-1-yl)-[4-[[4-(4-methylphenyl)-5-propan-2-yl-1,2,4-triazol-3-yl]sulfanylmethyl]phenyl]methanone (PubChem CID 83288585) has the molecular formula C26H33N5OS and a molecular weight of 463.65 g/mol. Its IUPAC name is (4-ethylpiperazin-1-yl)-[4-[[4-(4-methylphenyl)-5-propan-2-yl-1,2,4-triazol-3-yl]sulfanylmethyl]phenyl]methanone.

Molecular Properties

Compound Name(4-ethylpiperazin-1-yl)-[4-[[4-(4-methylphenyl)-5-propan-2-yl-1,2,4-triazol-3-yl]sulfanylmethyl]phenyl]methanone
PubChem CID83288585
Molecular FormulaC26H33N5OS
Molecular Weight463.65 g/mol
Exact Mass463.24
IUPAC Name(4-ethylpiperazin-1-yl)-[4-[[4-(4-methylphenyl)-5-propan-2-yl-1,2,4-triazol-3-yl]sulfanylmethyl]phenyl]methanone
SMILESCCN1CCN(C(=O)c2ccc(CSc3nnc(C(C)C)n3-c3ccc(C)cc3)cc2)CC1
InChIInChI=1S/C26H33N5OS/c1-5-29-14-16-30(17-15-29)25(32)22-10-8-21(9-11-22)18-33-26-28-27-24(19(2)3)31(26)23-12-6-20(4)7-13-23/h6-13,19H,5,14-18H2,1-4H3
InChIKeyKWJFRFMISLLIPD-UHFFFAOYSA-N
XLogP4.77
TPSA54.26 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.65
LogP ≤ 54.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (4-ethylpiperazin-1-yl)-[4-[[4-(4-methylphenyl)-5-propan-2-yl-1,2,4-triazol-3-yl]sulfanylmethyl]phenyl]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

4-[[4-(4-methylphenyl)-5-propan-2-yl-1,2,4-triazol-3-yl]sulfanylmethyl]-N-(pyridin-4-ylmethyl)benzamide
CID 83288590
[4-[[5-(4-methoxyphenyl)-4-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]phenyl]-pyrrolidin-1-ylmethanone
CID 32971146
(4-ethylpiperazin-1-yl)-[4-[[4-(1-methoxypropan-2-yl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanylmethyl]phenyl]methanone
CID 83282178
N-butan-2-yl-4-[[4-(4-methylphenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanylmethyl]benzamide
CID 24718340
[4-[[4-(4-fluorophenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanylmethyl]phenyl]-pyrrolidin-1-ylmethanone
CID 32970844
[3-[(4-benzyl-5-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]phenyl]-(4-ethylpiperazin-1-yl)methanone
CID 83286480
3-[(4-methylphenyl)methylsulfanyl]-5-propan-2-yl-4-propyl-1,2,4-triazole
CID 19717278
N-cyclopropyl-4-[[5-methyl-4-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]benzamide
CID 42810691
N-methyl-4-[[5-methyl-4-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-N-propylbenzamide
CID 42810695
1-(4-ethylpiperazin-1-yl)-2-[(4-methylphenyl)methylsulfanyl]ethanone
CID 53279617
N-[(2R)-butan-2-yl]-4-[[4-(4-methylphenyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]sulfanylmethyl]benzamide
CID 93301586
4-(4-ethylpiperazine-1-carbonyl)-N'-hydroxybenzenecarboximidamide
CID 43333210

Frequently Asked Questions

What is the IUPAC name of (4-ethylpiperazin-1-yl)-[4-[[4-(4-methylphenyl)-5-propan-2-yl-1,2,4-triazol-3-yl]sulfanylmethyl]phenyl]methanone?
The IUPAC name of (4-ethylpiperazin-1-yl)-[4-[[4-(4-methylphenyl)-5-propan-2-yl-1,2,4-triazol-3-yl]sulfanylmethyl]phenyl]methanone (CID 83288585) is (4-ethylpiperazin-1-yl)-[4-[[4-(4-methylphenyl)-5-propan-2-yl-1,2,4-triazol-3-yl]sulfanylmethyl]phenyl]methanone.
What is the SMILES notation for (4-ethylpiperazin-1-yl)-[4-[[4-(4-methylphenyl)-5-propan-2-yl-1,2,4-triazol-3-yl]sulfanylmethyl]phenyl]methanone?
The canonical SMILES for (4-ethylpiperazin-1-yl)-[4-[[4-(4-methylphenyl)-5-propan-2-yl-1,2,4-triazol-3-yl]sulfanylmethyl]phenyl]methanone is CCN1CCN(C(=O)c2ccc(CSc3nnc(C(C)C)n3-c3ccc(C)cc3)cc2)CC1.
What is the InChIKey of (4-ethylpiperazin-1-yl)-[4-[[4-(4-methylphenyl)-5-propan-2-yl-1,2,4-triazol-3-yl]sulfanylmethyl]phenyl]methanone?
The InChIKey is KWJFRFMISLLIPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33N5OS/c1-5-29-14-16-30(17-15-29)25(32)22-10-8-21(9-11-22)18-33-26-28-27-24(19(2)3)31(26)23-12-6-20(4)7-13-23/h6-13,19H,5,14-18H2,1-4H3.
What are the key properties of (4-ethylpiperazin-1-yl)-[4-[[4-(4-methylphenyl)-5-propan-2-yl-1,2,4-triazol-3-yl]sulfanylmethyl]phenyl]methanone?
(4-ethylpiperazin-1-yl)-[4-[[4-(4-methylphenyl)-5-propan-2-yl-1,2,4-triazol-3-yl]sulfanylmethyl]phenyl]methanone has a molecular weight of 463.65 g/mol, XLogP of 4.77, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethylpiperazin-1-yl)-[4-[[4-(4-methylphenyl)-5-propan-2-yl-1,2,4-triazol-3-yl]sulfanylmethyl]phenyl]methanone is sourced from PubChem (CID 83288585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).