[2-[4-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)piperazine-1-carbonyl]phenyl]-phenylmethanone

C26H28N4O2S — CID 108753417

IUPAC[2-[4-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)piperazine-1-carbonyl]phenyl]-phenylmethanone
SMILESO=C(c1ccccc1)c1ccccc1C(=O)N1CCN(c2nnc(C3CCCCC3)s2)CC1
InChIInChI=1S/C26H28N4O2S/c31-23(19-9-3-1-4-10-19)21-13-7-8-14-22(21)25(32)29-15-17-30(18-16-29)26-28-27-24(33-26)20-11-5-2-6-12-20/h1,3-4,7-10,13-14,20H,2,5-6,11-12,15-18H2
InChIKeyOFTHSIZPNZSFBT-UHFFFAOYSA-N
MW460.60 g/mol
LogP4.78
Rot. Bonds5

About [2-[4-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)piperazine-1-carbonyl]phenyl]-phenylmethanone

[2-[4-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)piperazine-1-carbonyl]phenyl]-phenylmethanone (PubChem CID 108753417) has the molecular formula C26H28N4O2S and a molecular weight of 460.60 g/mol. Its IUPAC name is [2-[4-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)piperazine-1-carbonyl]phenyl]-phenylmethanone.

Molecular Properties

Compound Name[2-[4-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)piperazine-1-carbonyl]phenyl]-phenylmethanone
PubChem CID108753417
Molecular FormulaC26H28N4O2S
Molecular Weight460.60 g/mol
Exact Mass460.19
IUPAC Name[2-[4-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)piperazine-1-carbonyl]phenyl]-phenylmethanone
SMILESO=C(c1ccccc1)c1ccccc1C(=O)N1CCN(c2nnc(C3CCCCC3)s2)CC1
InChIInChI=1S/C26H28N4O2S/c31-23(19-9-3-1-4-10-19)21-13-7-8-14-22(21)25(32)29-15-17-30(18-16-29)26-28-27-24(33-26)20-11-5-2-6-12-20/h1,3-4,7-10,13-14,20H,2,5-6,11-12,15-18H2
InChIKeyOFTHSIZPNZSFBT-UHFFFAOYSA-N
XLogP4.78
TPSA66.40 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.60
LogP ≤ 54.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 2-[4-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)piperazine-1-carbonyl]benzoate
CID 108729734
[4-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)piperazin-1-yl]-(2,5-difluorophenyl)methanone
CID 108729776
[4-[4-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)piperazine-1-carbonyl]phenyl] acetate
CID 108729633
1-[4-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)piperazin-1-yl]-2-methylpropan-1-one
CID 108729682
1-[4-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)piperazin-1-yl]-2-methylprop-2-en-1-one
CID 108729648
[4-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)piperazin-1-yl]-(3,4,5-triethoxyphenyl)methanone
CID 108753398
phenyl-[2-(3-phenylazepane-1-carbonyl)phenyl]methanone
CID 121130874
1-[4-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)piperazin-1-yl]-2-(2-ethoxyphenoxy)ethanone
CID 108753458
2-chloro-1-[4-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)piperazin-1-yl]propan-1-one
CID 108729706
(3R)-1-(2-benzoylbenzoyl)piperidine-3-carboxylic acid
CID 97233562
1-[4-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)piperazin-1-yl]-2-(2-prop-2-enoxyphenoxy)ethanone
CID 108753468
[4-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)piperazin-1-yl]-(4-morpholin-4-yl-3-nitrophenyl)methanone
CID 108729655

Frequently Asked Questions

What is the IUPAC name of [2-[4-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)piperazine-1-carbonyl]phenyl]-phenylmethanone?
The IUPAC name of [2-[4-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)piperazine-1-carbonyl]phenyl]-phenylmethanone (CID 108753417) is [2-[4-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)piperazine-1-carbonyl]phenyl]-phenylmethanone.
What is the SMILES notation for [2-[4-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)piperazine-1-carbonyl]phenyl]-phenylmethanone?
The canonical SMILES for [2-[4-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)piperazine-1-carbonyl]phenyl]-phenylmethanone is O=C(c1ccccc1)c1ccccc1C(=O)N1CCN(c2nnc(C3CCCCC3)s2)CC1.
What is the InChIKey of [2-[4-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)piperazine-1-carbonyl]phenyl]-phenylmethanone?
The InChIKey is OFTHSIZPNZSFBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N4O2S/c31-23(19-9-3-1-4-10-19)21-13-7-8-14-22(21)25(32)29-15-17-30(18-16-29)26-28-27-24(33-26)20-11-5-2-6-12-20/h1,3-4,7-10,13-14,20H,2,5-6,11-12,15-18H2.
What are the key properties of [2-[4-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)piperazine-1-carbonyl]phenyl]-phenylmethanone?
[2-[4-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)piperazine-1-carbonyl]phenyl]-phenylmethanone has a molecular weight of 460.60 g/mol, XLogP of 4.78, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[4-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)piperazine-1-carbonyl]phenyl]-phenylmethanone is sourced from PubChem (CID 108753417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).