2-[4-(1,2,5-thiadiazol-3-yl)piperazin-1-yl]-1,3-benzoxazole

C13H13N5OS — CID 154581141

IUPAC2-[4-(1,2,5-thiadiazol-3-yl)piperazin-1-yl]-1,3-benzoxazole
SMILESc1ccc2oc(N3CCN(c4cnsn4)CC3)nc2c1
InChIInChI=1S/C13H13N5OS/c1-2-4-11-10(3-1)15-13(19-11)18-7-5-17(6-8-18)12-9-14-20-16-12/h1-4,9H,5-8H2
InChIKeySUSDOUVRHXDMAQ-UHFFFAOYSA-N
MW287.35 g/mol
LogP2.01
Rot. Bonds2

About 2-[4-(1,2,5-thiadiazol-3-yl)piperazin-1-yl]-1,3-benzoxazole

2-[4-(1,2,5-thiadiazol-3-yl)piperazin-1-yl]-1,3-benzoxazole (PubChem CID 154581141) has the molecular formula C13H13N5OS and a molecular weight of 287.35 g/mol. Its IUPAC name is 2-[4-(1,2,5-thiadiazol-3-yl)piperazin-1-yl]-1,3-benzoxazole.

Molecular Properties

Compound Name2-[4-(1,2,5-thiadiazol-3-yl)piperazin-1-yl]-1,3-benzoxazole
PubChem CID154581141
Molecular FormulaC13H13N5OS
Molecular Weight287.35 g/mol
Exact Mass287.08
IUPAC Name2-[4-(1,2,5-thiadiazol-3-yl)piperazin-1-yl]-1,3-benzoxazole
SMILESc1ccc2oc(N3CCN(c4cnsn4)CC3)nc2c1
InChIInChI=1S/C13H13N5OS/c1-2-4-11-10(3-1)15-13(19-11)18-7-5-17(6-8-18)12-9-14-20-16-12/h1-4,9H,5-8H2
InChIKeySUSDOUVRHXDMAQ-UHFFFAOYSA-N
XLogP2.01
TPSA58.29 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.35
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

2-[4-(1,3-benzoxazol-2-yl)-1,4-diazepan-1-yl]-1,3-benzoxazole
CID 14792326
2-(4-pyridin-2-ylpiperazin-1-yl)-1,3-benzoxazole
CID 24805905
2-[4-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperazin-1-yl]-1,3-benzoxazole
CID 56778006
2-(4-pyridin-4-ylpiperazin-1-yl)-1,3-benzoxazole
CID 36581573
7,10-bis(1,3-benzoxazol-2-yl)-1-oxa-4,13-dithia-7,10-diazacyclopentadecane
CID 15321742
2-(4-propylpiperazin-1-yl)-1,3-benzoxazole
CID 11395660
2-(4-benzhydrylpiperazin-1-yl)-1,3-benzoxazole
CID 24632071
2-[4-(thian-4-yl)piperazin-1-yl]-1,3-benzoxazole
CID 91840493
2-[4-(4-methoxyphenyl)piperazin-1-yl]-1,3-benzoxazole
CID 51179578
2-[4-[6-(2-methylimidazol-1-yl)-2-pyridinyl]piperazin-1-yl]-1,3-benzoxazole
CID 163357159
1-(1,3-benzoxazol-2-yl)pyrrolidine-3,4-diol
CID 106673452
2-[4-[(2,6-difluorophenyl)methyl]piperazin-1-yl]-1,3-benzoxazole
CID 126770624

Frequently Asked Questions

What is the IUPAC name of 2-[4-(1,2,5-thiadiazol-3-yl)piperazin-1-yl]-1,3-benzoxazole?
The IUPAC name of 2-[4-(1,2,5-thiadiazol-3-yl)piperazin-1-yl]-1,3-benzoxazole (CID 154581141) is 2-[4-(1,2,5-thiadiazol-3-yl)piperazin-1-yl]-1,3-benzoxazole.
What is the SMILES notation for 2-[4-(1,2,5-thiadiazol-3-yl)piperazin-1-yl]-1,3-benzoxazole?
The canonical SMILES for 2-[4-(1,2,5-thiadiazol-3-yl)piperazin-1-yl]-1,3-benzoxazole is c1ccc2oc(N3CCN(c4cnsn4)CC3)nc2c1.
What is the InChIKey of 2-[4-(1,2,5-thiadiazol-3-yl)piperazin-1-yl]-1,3-benzoxazole?
The InChIKey is SUSDOUVRHXDMAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N5OS/c1-2-4-11-10(3-1)15-13(19-11)18-7-5-17(6-8-18)12-9-14-20-16-12/h1-4,9H,5-8H2.
What are the key properties of 2-[4-(1,2,5-thiadiazol-3-yl)piperazin-1-yl]-1,3-benzoxazole?
2-[4-(1,2,5-thiadiazol-3-yl)piperazin-1-yl]-1,3-benzoxazole has a molecular weight of 287.35 g/mol, XLogP of 2.01, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1,2,5-thiadiazol-3-yl)piperazin-1-yl]-1,3-benzoxazole is sourced from PubChem (CID 154581141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).