4-(4-bromo-1,3-thiazol-2-yl)thiomorpholine

C7H9BrN2S2 — CID 79399505

IUPAC4-(4-bromo-1,3-thiazol-2-yl)thiomorpholine
SMILESBrc1csc(N2CCSCC2)n1
InChIInChI=1S/C7H9BrN2S2/c8-6-5-12-7(9-6)10-1-3-11-4-2-10/h5H,1-4H2
InChIKeyHMXVXAZFEQFMAJ-UHFFFAOYSA-N
MW265.20 g/mol
LogP2.46
Rot. Bonds1

About 4-(4-bromo-1,3-thiazol-2-yl)thiomorpholine

4-(4-bromo-1,3-thiazol-2-yl)thiomorpholine (PubChem CID 79399505) has the molecular formula C7H9BrN2S2 and a molecular weight of 265.20 g/mol. Its IUPAC name is 4-(4-bromo-1,3-thiazol-2-yl)thiomorpholine.

Molecular Properties

Compound Name4-(4-bromo-1,3-thiazol-2-yl)thiomorpholine
PubChem CID79399505
Molecular FormulaC7H9BrN2S2
Molecular Weight265.20 g/mol
Exact Mass263.94
IUPAC Name4-(4-bromo-1,3-thiazol-2-yl)thiomorpholine
SMILESBrc1csc(N2CCSCC2)n1
InChIInChI=1S/C7H9BrN2S2/c8-6-5-12-7(9-6)10-1-3-11-4-2-10/h5H,1-4H2
InChIKeyHMXVXAZFEQFMAJ-UHFFFAOYSA-N
XLogP2.46
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.20
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

CID 43811042
CID 43811042
CID 45787501
CID 45787501
CID 45787499
CID 45787499
CID 169266631
CID 169266631
CID 79398689
CID 79398689
CID 79398922
CID 79398922
CID 79399535
CID 79399535
CID 79399763
CID 79399763
CID 116316414
CID 116316414
CID 164651187
CID 164651187
CID 18761602
CID 18761602
CID 43811061
CID 43811061

Frequently Asked Questions

What is the IUPAC name of 4-(4-bromo-1,3-thiazol-2-yl)thiomorpholine?
The IUPAC name of 4-(4-bromo-1,3-thiazol-2-yl)thiomorpholine (CID 79399505) is 4-(4-bromo-1,3-thiazol-2-yl)thiomorpholine.
What is the SMILES notation for 4-(4-bromo-1,3-thiazol-2-yl)thiomorpholine?
The canonical SMILES for 4-(4-bromo-1,3-thiazol-2-yl)thiomorpholine is Brc1csc(N2CCSCC2)n1.
What is the InChIKey of 4-(4-bromo-1,3-thiazol-2-yl)thiomorpholine?
The InChIKey is HMXVXAZFEQFMAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9BrN2S2/c8-6-5-12-7(9-6)10-1-3-11-4-2-10/h5H,1-4H2.
What are the key properties of 4-(4-bromo-1,3-thiazol-2-yl)thiomorpholine?
4-(4-bromo-1,3-thiazol-2-yl)thiomorpholine has a molecular weight of 265.20 g/mol, XLogP of 2.46, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-bromo-1,3-thiazol-2-yl)thiomorpholine is sourced from PubChem (CID 79399505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).