[4-(5-bromoimidazo[2,1-b][1,3,4]thiadiazol-2-yl)morpholin-2-yl]-phenylmethanone

C15H13BrN4O2S — CID 172552015

IUPAC[4-(5-bromoimidazo[2,1-b][1,3,4]thiadiazol-2-yl)morpholin-2-yl]-phenylmethanone
SMILESO=C(c1ccccc1)C1CN(c2nn3c(Br)cnc3s2)CCO1
InChIInChI=1S/C15H13BrN4O2S/c16-12-8-17-14-20(12)18-15(23-14)19-6-7-22-11(9-19)13(21)10-4-2-1-3-5-10/h1-5,8,11H,6-7,9H2
InChIKeyCTDXUMZXKWPGIG-UHFFFAOYSA-N
MW393.27 g/mol
LogP2.64
Rot. Bonds3

About [4-(5-bromoimidazo[2,1-b][1,3,4]thiadiazol-2-yl)morpholin-2-yl]-phenylmethanone

[4-(5-bromoimidazo[2,1-b][1,3,4]thiadiazol-2-yl)morpholin-2-yl]-phenylmethanone (PubChem CID 172552015) has the molecular formula C15H13BrN4O2S and a molecular weight of 393.27 g/mol. Its IUPAC name is [4-(5-bromoimidazo[2,1-b][1,3,4]thiadiazol-2-yl)morpholin-2-yl]-phenylmethanone.

Molecular Properties

Compound Name[4-(5-bromoimidazo[2,1-b][1,3,4]thiadiazol-2-yl)morpholin-2-yl]-phenylmethanone
PubChem CID172552015
Molecular FormulaC15H13BrN4O2S
Molecular Weight393.27 g/mol
Exact Mass391.99
IUPAC Name[4-(5-bromoimidazo[2,1-b][1,3,4]thiadiazol-2-yl)morpholin-2-yl]-phenylmethanone
SMILESO=C(c1ccccc1)C1CN(c2nn3c(Br)cnc3s2)CCO1
InChIInChI=1S/C15H13BrN4O2S/c16-12-8-17-14-20(12)18-15(23-14)19-6-7-22-11(9-19)13(21)10-4-2-1-3-5-10/h1-5,8,11H,6-7,9H2
InChIKeyCTDXUMZXKWPGIG-UHFFFAOYSA-N
XLogP2.64
TPSA59.73 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.27
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [4-(5-bromoimidazo[2,1-b][1,3,4]thiadiazol-2-yl)morpholin-2-yl]-phenylmethanone?
The IUPAC name of [4-(5-bromoimidazo[2,1-b][1,3,4]thiadiazol-2-yl)morpholin-2-yl]-phenylmethanone (CID 172552015) is [4-(5-bromoimidazo[2,1-b][1,3,4]thiadiazol-2-yl)morpholin-2-yl]-phenylmethanone.
What is the SMILES notation for [4-(5-bromoimidazo[2,1-b][1,3,4]thiadiazol-2-yl)morpholin-2-yl]-phenylmethanone?
The canonical SMILES for [4-(5-bromoimidazo[2,1-b][1,3,4]thiadiazol-2-yl)morpholin-2-yl]-phenylmethanone is O=C(c1ccccc1)C1CN(c2nn3c(Br)cnc3s2)CCO1.
What is the InChIKey of [4-(5-bromoimidazo[2,1-b][1,3,4]thiadiazol-2-yl)morpholin-2-yl]-phenylmethanone?
The InChIKey is CTDXUMZXKWPGIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrN4O2S/c16-12-8-17-14-20(12)18-15(23-14)19-6-7-22-11(9-19)13(21)10-4-2-1-3-5-10/h1-5,8,11H,6-7,9H2.
What are the key properties of [4-(5-bromoimidazo[2,1-b][1,3,4]thiadiazol-2-yl)morpholin-2-yl]-phenylmethanone?
[4-(5-bromoimidazo[2,1-b][1,3,4]thiadiazol-2-yl)morpholin-2-yl]-phenylmethanone has a molecular weight of 393.27 g/mol, XLogP of 2.64, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(5-bromoimidazo[2,1-b][1,3,4]thiadiazol-2-yl)morpholin-2-yl]-phenylmethanone is sourced from PubChem (CID 172552015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).