(4-ethylpiperazin-1-yl)-[4-[(5-phenyl-1,3,4-thiadiazol-2-yl)amino]cyclohexyl]methanone

C21H29N5OS — CID 170509870

IUPAC(4-ethylpiperazin-1-yl)-[4-[(5-phenyl-1,3,4-thiadiazol-2-yl)amino]cyclohexyl]methanone
SMILESCCN1CCN(C(=O)C2CCC(Nc3nnc(-c4ccccc4)s3)CC2)CC1
InChIInChI=1S/C21H29N5OS/c1-2-25-12-14-26(15-13-25)20(27)17-8-10-18(11-9-17)22-21-24-23-19(28-21)16-6-4-3-5-7-16/h3-7,17-18H,2,8-15H2,1H3,(H,22,24)
InChIKeyVKCUPBUVNJKJLY-UHFFFAOYSA-N
MW399.56 g/mol
LogP3.34
Rot. Bonds5

About (4-ethylpiperazin-1-yl)-[4-[(5-phenyl-1,3,4-thiadiazol-2-yl)amino]cyclohexyl]methanone

(4-ethylpiperazin-1-yl)-[4-[(5-phenyl-1,3,4-thiadiazol-2-yl)amino]cyclohexyl]methanone (PubChem CID 170509870) has the molecular formula C21H29N5OS and a molecular weight of 399.56 g/mol. Its IUPAC name is (4-ethylpiperazin-1-yl)-[4-[(5-phenyl-1,3,4-thiadiazol-2-yl)amino]cyclohexyl]methanone.

Molecular Properties

Compound Name(4-ethylpiperazin-1-yl)-[4-[(5-phenyl-1,3,4-thiadiazol-2-yl)amino]cyclohexyl]methanone
PubChem CID170509870
Molecular FormulaC21H29N5OS
Molecular Weight399.56 g/mol
Exact Mass399.21
IUPAC Name(4-ethylpiperazin-1-yl)-[4-[(5-phenyl-1,3,4-thiadiazol-2-yl)amino]cyclohexyl]methanone
SMILESCCN1CCN(C(=O)C2CCC(Nc3nnc(-c4ccccc4)s3)CC2)CC1
InChIInChI=1S/C21H29N5OS/c1-2-25-12-14-26(15-13-25)20(27)17-8-10-18(11-9-17)22-21-24-23-19(28-21)16-6-4-3-5-7-16/h3-7,17-18H,2,8-15H2,1H3,(H,22,24)
InChIKeyVKCUPBUVNJKJLY-UHFFFAOYSA-N
XLogP3.34
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.56
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (4-ethylpiperazin-1-yl)-[4-[(5-phenyl-1,3,4-thiadiazol-2-yl)amino]cyclohexyl]methanone with MolForge

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Related Compounds

N-(1-ethylpyrrolidin-3-yl)-5-phenyl-1,3,4-thiadiazol-2-amine
CID 131889047
(4-ethylpiperazin-1-yl)-[1-[(2R)-2-phenylpropyl]piperidin-4-yl]methanone
CID 795735
N-ethyl-4-(4-ethylpiperazine-1-carbonyl)-N-phenylcyclohexane-1-carboxamide
CID 109147543
N-benzyl-4-(4-ethylpiperazine-1-carbonyl)-N-propan-2-ylcyclohexane-1-carboxamide
CID 109147520
1-[(3R,4R)-3-hydroxy-4-[(5-phenyl-1,3,4-thiadiazol-2-yl)amino]piperidin-1-yl]-2-methoxyethanone
CID 118779761
N-(2-ethylphenyl)-4-(4-ethylpiperazine-1-carbonyl)cyclohexane-1-carboxamide
CID 109147541
tert-butyl 4-[(5-phenyl-1,3,4-thiadiazol-2-yl)carbamoyl]piperidine-1-carboxylate
CID 60600812
1-N-(5-phenyl-1,3,4-thiadiazol-2-yl)piperidine-1,4-dicarboxamide
CID 56808851
(4-ethylpiperazin-1-yl)-[1-[1-(4-phenylbenzoyl)piperidin-4-yl]piperidin-4-yl]methanone
CID 42881412
1-[4-(4-benzylpiperazine-1-carbonyl)piperidin-1-yl]propan-1-one
CID 46779037
[1-(2-chlorobenzoyl)piperidin-4-yl]-(4-ethylpiperazin-1-yl)methanone
CID 17223445
4-(4-ethylpiperazine-1-carbonyl)-N-(2-propan-2-ylphenyl)cyclohexane-1-carboxamide
CID 109147545

Frequently Asked Questions

What is the IUPAC name of (4-ethylpiperazin-1-yl)-[4-[(5-phenyl-1,3,4-thiadiazol-2-yl)amino]cyclohexyl]methanone?
The IUPAC name of (4-ethylpiperazin-1-yl)-[4-[(5-phenyl-1,3,4-thiadiazol-2-yl)amino]cyclohexyl]methanone (CID 170509870) is (4-ethylpiperazin-1-yl)-[4-[(5-phenyl-1,3,4-thiadiazol-2-yl)amino]cyclohexyl]methanone.
What is the SMILES notation for (4-ethylpiperazin-1-yl)-[4-[(5-phenyl-1,3,4-thiadiazol-2-yl)amino]cyclohexyl]methanone?
The canonical SMILES for (4-ethylpiperazin-1-yl)-[4-[(5-phenyl-1,3,4-thiadiazol-2-yl)amino]cyclohexyl]methanone is CCN1CCN(C(=O)C2CCC(Nc3nnc(-c4ccccc4)s3)CC2)CC1.
What is the InChIKey of (4-ethylpiperazin-1-yl)-[4-[(5-phenyl-1,3,4-thiadiazol-2-yl)amino]cyclohexyl]methanone?
The InChIKey is VKCUPBUVNJKJLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N5OS/c1-2-25-12-14-26(15-13-25)20(27)17-8-10-18(11-9-17)22-21-24-23-19(28-21)16-6-4-3-5-7-16/h3-7,17-18H,2,8-15H2,1H3,(H,22,24).
What are the key properties of (4-ethylpiperazin-1-yl)-[4-[(5-phenyl-1,3,4-thiadiazol-2-yl)amino]cyclohexyl]methanone?
(4-ethylpiperazin-1-yl)-[4-[(5-phenyl-1,3,4-thiadiazol-2-yl)amino]cyclohexyl]methanone has a molecular weight of 399.56 g/mol, XLogP of 3.34, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethylpiperazin-1-yl)-[4-[(5-phenyl-1,3,4-thiadiazol-2-yl)amino]cyclohexyl]methanone is sourced from PubChem (CID 170509870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).