[4-(2-cyclopropyl-2-hydroxyethyl)piperazin-1-yl]-(4-methylthiadiazol-5-yl)methanone

C13H20N4O2S — CID 71783136

IUPAC[4-(2-cyclopropyl-2-hydroxyethyl)piperazin-1-yl]-(4-methylthiadiazol-5-yl)methanone
SMILESCc1nnsc1C(=O)N1CCN(CC(O)C2CC2)CC1
InChIInChI=1S/C13H20N4O2S/c1-9-12(20-15-14-9)13(19)17-6-4-16(5-7-17)8-11(18)10-2-3-10/h10-11,18H,2-8H2,1H3
InChIKeyLYVVGDHRBBHGGB-UHFFFAOYSA-N
MW296.40 g/mol
LogP0.38
Rot. Bonds4

About [4-(2-cyclopropyl-2-hydroxyethyl)piperazin-1-yl]-(4-methylthiadiazol-5-yl)methanone

[4-(2-cyclopropyl-2-hydroxyethyl)piperazin-1-yl]-(4-methylthiadiazol-5-yl)methanone (PubChem CID 71783136) has the molecular formula C13H20N4O2S and a molecular weight of 296.40 g/mol. Its IUPAC name is [4-(2-cyclopropyl-2-hydroxyethyl)piperazin-1-yl]-(4-methylthiadiazol-5-yl)methanone.

Molecular Properties

Compound Name[4-(2-cyclopropyl-2-hydroxyethyl)piperazin-1-yl]-(4-methylthiadiazol-5-yl)methanone
PubChem CID71783136
Molecular FormulaC13H20N4O2S
Molecular Weight296.40 g/mol
Exact Mass296.13
IUPAC Name[4-(2-cyclopropyl-2-hydroxyethyl)piperazin-1-yl]-(4-methylthiadiazol-5-yl)methanone
SMILESCc1nnsc1C(=O)N1CCN(CC(O)C2CC2)CC1
InChIInChI=1S/C13H20N4O2S/c1-9-12(20-15-14-9)13(19)17-6-4-16(5-7-17)8-11(18)10-2-3-10/h10-11,18H,2-8H2,1H3
InChIKeyLYVVGDHRBBHGGB-UHFFFAOYSA-N
XLogP0.38
TPSA69.56 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.40
LogP ≤ 50.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [4-(2-cyclopropyl-2-hydroxyethyl)piperazin-1-yl]-(4-methylthiadiazol-5-yl)methanone?
The IUPAC name of [4-(2-cyclopropyl-2-hydroxyethyl)piperazin-1-yl]-(4-methylthiadiazol-5-yl)methanone (CID 71783136) is [4-(2-cyclopropyl-2-hydroxyethyl)piperazin-1-yl]-(4-methylthiadiazol-5-yl)methanone.
What is the SMILES notation for [4-(2-cyclopropyl-2-hydroxyethyl)piperazin-1-yl]-(4-methylthiadiazol-5-yl)methanone?
The canonical SMILES for [4-(2-cyclopropyl-2-hydroxyethyl)piperazin-1-yl]-(4-methylthiadiazol-5-yl)methanone is Cc1nnsc1C(=O)N1CCN(CC(O)C2CC2)CC1.
What is the InChIKey of [4-(2-cyclopropyl-2-hydroxyethyl)piperazin-1-yl]-(4-methylthiadiazol-5-yl)methanone?
The InChIKey is LYVVGDHRBBHGGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O2S/c1-9-12(20-15-14-9)13(19)17-6-4-16(5-7-17)8-11(18)10-2-3-10/h10-11,18H,2-8H2,1H3.
What are the key properties of [4-(2-cyclopropyl-2-hydroxyethyl)piperazin-1-yl]-(4-methylthiadiazol-5-yl)methanone?
[4-(2-cyclopropyl-2-hydroxyethyl)piperazin-1-yl]-(4-methylthiadiazol-5-yl)methanone has a molecular weight of 296.40 g/mol, XLogP of 0.38, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-cyclopropyl-2-hydroxyethyl)piperazin-1-yl]-(4-methylthiadiazol-5-yl)methanone is sourced from PubChem (CID 71783136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).