1-[4-(4-tert-butylthiadiazole-5-carbonyl)piperazin-1-yl]-3-cyclopentylpropan-1-one

C19H30N4O2S — CID 86807038

IUPAC1-[4-(4-tert-butylthiadiazole-5-carbonyl)piperazin-1-yl]-3-cyclopentylpropan-1-one
SMILESCC(C)(C)c1nnsc1C(=O)N1CCN(C(=O)CCC2CCCC2)CC1
InChIInChI=1S/C19H30N4O2S/c1-19(2,3)17-16(26-21-20-17)18(25)23-12-10-22(11-13-23)15(24)9-8-14-6-4-5-7-14/h14H,4-13H2,1-3H3
InChIKeyVRBPVFOWXCMFTO-UHFFFAOYSA-N
MW378.54 g/mol
LogP3.09
Rot. Bonds4

About 1-[4-(4-tert-butylthiadiazole-5-carbonyl)piperazin-1-yl]-3-cyclopentylpropan-1-one

1-[4-(4-tert-butylthiadiazole-5-carbonyl)piperazin-1-yl]-3-cyclopentylpropan-1-one (PubChem CID 86807038) has the molecular formula C19H30N4O2S and a molecular weight of 378.54 g/mol. Its IUPAC name is 1-[4-(4-tert-butylthiadiazole-5-carbonyl)piperazin-1-yl]-3-cyclopentylpropan-1-one.

Molecular Properties

Compound Name1-[4-(4-tert-butylthiadiazole-5-carbonyl)piperazin-1-yl]-3-cyclopentylpropan-1-one
PubChem CID86807038
Molecular FormulaC19H30N4O2S
Molecular Weight378.54 g/mol
Exact Mass378.21
IUPAC Name1-[4-(4-tert-butylthiadiazole-5-carbonyl)piperazin-1-yl]-3-cyclopentylpropan-1-one
SMILESCC(C)(C)c1nnsc1C(=O)N1CCN(C(=O)CCC2CCCC2)CC1
InChIInChI=1S/C19H30N4O2S/c1-19(2,3)17-16(26-21-20-17)18(25)23-12-10-22(11-13-23)15(24)9-8-14-6-4-5-7-14/h14H,4-13H2,1-3H3
InChIKeyVRBPVFOWXCMFTO-UHFFFAOYSA-N
XLogP3.09
TPSA66.40 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.54
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-tert-butylthiadiazole-5-carbonyl)piperazin-1-yl]-3-cyclopentylpropan-1-one?
The IUPAC name of 1-[4-(4-tert-butylthiadiazole-5-carbonyl)piperazin-1-yl]-3-cyclopentylpropan-1-one (CID 86807038) is 1-[4-(4-tert-butylthiadiazole-5-carbonyl)piperazin-1-yl]-3-cyclopentylpropan-1-one.
What is the SMILES notation for 1-[4-(4-tert-butylthiadiazole-5-carbonyl)piperazin-1-yl]-3-cyclopentylpropan-1-one?
The canonical SMILES for 1-[4-(4-tert-butylthiadiazole-5-carbonyl)piperazin-1-yl]-3-cyclopentylpropan-1-one is CC(C)(C)c1nnsc1C(=O)N1CCN(C(=O)CCC2CCCC2)CC1.
What is the InChIKey of 1-[4-(4-tert-butylthiadiazole-5-carbonyl)piperazin-1-yl]-3-cyclopentylpropan-1-one?
The InChIKey is VRBPVFOWXCMFTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N4O2S/c1-19(2,3)17-16(26-21-20-17)18(25)23-12-10-22(11-13-23)15(24)9-8-14-6-4-5-7-14/h14H,4-13H2,1-3H3.
What are the key properties of 1-[4-(4-tert-butylthiadiazole-5-carbonyl)piperazin-1-yl]-3-cyclopentylpropan-1-one?
1-[4-(4-tert-butylthiadiazole-5-carbonyl)piperazin-1-yl]-3-cyclopentylpropan-1-one has a molecular weight of 378.54 g/mol, XLogP of 3.09, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-tert-butylthiadiazole-5-carbonyl)piperazin-1-yl]-3-cyclopentylpropan-1-one is sourced from PubChem (CID 86807038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).