2-cyclopropyl-5-[4-(thiadiazole-5-carbonyl)piperazin-1-yl]-1,3-oxazole-4-carbonitrile

C14H14N6O2S — CID 56816486

IUPAC2-cyclopropyl-5-[4-(thiadiazole-5-carbonyl)piperazin-1-yl]-1,3-oxazole-4-carbonitrile
SMILESN#Cc1nc(C2CC2)oc1N1CCN(C(=O)c2cnns2)CC1
InChIInChI=1S/C14H14N6O2S/c15-7-10-14(22-12(17-10)9-1-2-9)20-5-3-19(4-6-20)13(21)11-8-16-18-23-11/h8-9H,1-6H2
InChIKeyHDXVYSGBSAJVDK-UHFFFAOYSA-N
MW330.37 g/mol
LogP1.24
Rot. Bonds3

About 2-cyclopropyl-5-[4-(thiadiazole-5-carbonyl)piperazin-1-yl]-1,3-oxazole-4-carbonitrile

2-cyclopropyl-5-[4-(thiadiazole-5-carbonyl)piperazin-1-yl]-1,3-oxazole-4-carbonitrile (PubChem CID 56816486) has the molecular formula C14H14N6O2S and a molecular weight of 330.37 g/mol. Its IUPAC name is 2-cyclopropyl-5-[4-(thiadiazole-5-carbonyl)piperazin-1-yl]-1,3-oxazole-4-carbonitrile.

Molecular Properties

Compound Name2-cyclopropyl-5-[4-(thiadiazole-5-carbonyl)piperazin-1-yl]-1,3-oxazole-4-carbonitrile
PubChem CID56816486
Molecular FormulaC14H14N6O2S
Molecular Weight330.37 g/mol
Exact Mass330.09
IUPAC Name2-cyclopropyl-5-[4-(thiadiazole-5-carbonyl)piperazin-1-yl]-1,3-oxazole-4-carbonitrile
SMILESN#Cc1nc(C2CC2)oc1N1CCN(C(=O)c2cnns2)CC1
InChIInChI=1S/C14H14N6O2S/c15-7-10-14(22-12(17-10)9-1-2-9)20-5-3-19(4-6-20)13(21)11-8-16-18-23-11/h8-9H,1-6H2
InChIKeyHDXVYSGBSAJVDK-UHFFFAOYSA-N
XLogP1.24
TPSA99.15 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.37
LogP ≤ 51.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-5-[4-(thiadiazole-5-carbonyl)piperazin-1-yl]-1,3-oxazole-4-carbonitrile?
The IUPAC name of 2-cyclopropyl-5-[4-(thiadiazole-5-carbonyl)piperazin-1-yl]-1,3-oxazole-4-carbonitrile (CID 56816486) is 2-cyclopropyl-5-[4-(thiadiazole-5-carbonyl)piperazin-1-yl]-1,3-oxazole-4-carbonitrile.
What is the SMILES notation for 2-cyclopropyl-5-[4-(thiadiazole-5-carbonyl)piperazin-1-yl]-1,3-oxazole-4-carbonitrile?
The canonical SMILES for 2-cyclopropyl-5-[4-(thiadiazole-5-carbonyl)piperazin-1-yl]-1,3-oxazole-4-carbonitrile is N#Cc1nc(C2CC2)oc1N1CCN(C(=O)c2cnns2)CC1.
What is the InChIKey of 2-cyclopropyl-5-[4-(thiadiazole-5-carbonyl)piperazin-1-yl]-1,3-oxazole-4-carbonitrile?
The InChIKey is HDXVYSGBSAJVDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N6O2S/c15-7-10-14(22-12(17-10)9-1-2-9)20-5-3-19(4-6-20)13(21)11-8-16-18-23-11/h8-9H,1-6H2.
What are the key properties of 2-cyclopropyl-5-[4-(thiadiazole-5-carbonyl)piperazin-1-yl]-1,3-oxazole-4-carbonitrile?
2-cyclopropyl-5-[4-(thiadiazole-5-carbonyl)piperazin-1-yl]-1,3-oxazole-4-carbonitrile has a molecular weight of 330.37 g/mol, XLogP of 1.24, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-5-[4-(thiadiazole-5-carbonyl)piperazin-1-yl]-1,3-oxazole-4-carbonitrile is sourced from PubChem (CID 56816486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).