4-[4-(4-bromobut-1-enyl)-1,3-thiazol-2-yl]morpholine

C11H15BrN2OS — CID 170498163

IUPAC4-[4-(4-bromobut-1-enyl)-1,3-thiazol-2-yl]morpholine
SMILESBrCCC=Cc1csc(N2CCOCC2)n1
InChIInChI=1S/C11H15BrN2OS/c12-4-2-1-3-10-9-16-11(13-10)14-5-7-15-8-6-14/h1,3,9H,2,4-8H2
InChIKeyWSBDRDHPQFKDIQ-UHFFFAOYSA-N
MW303.23 g/mol
LogP2.78
Rot. Bonds4

About 4-[4-(4-bromobut-1-enyl)-1,3-thiazol-2-yl]morpholine

4-[4-(4-bromobut-1-enyl)-1,3-thiazol-2-yl]morpholine (PubChem CID 170498163) has the molecular formula C11H15BrN2OS and a molecular weight of 303.23 g/mol. Its IUPAC name is 4-[4-(4-bromobut-1-enyl)-1,3-thiazol-2-yl]morpholine.

Molecular Properties

Compound Name4-[4-(4-bromobut-1-enyl)-1,3-thiazol-2-yl]morpholine
PubChem CID170498163
Molecular FormulaC11H15BrN2OS
Molecular Weight303.23 g/mol
Exact Mass302.01
IUPAC Name4-[4-(4-bromobut-1-enyl)-1,3-thiazol-2-yl]morpholine
SMILESBrCCC=Cc1csc(N2CCOCC2)n1
InChIInChI=1S/C11H15BrN2OS/c12-4-2-1-3-10-9-16-11(13-10)14-5-7-15-8-6-14/h1,3,9H,2,4-8H2
InChIKeyWSBDRDHPQFKDIQ-UHFFFAOYSA-N
XLogP2.78
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.23
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

4-[4-(4-chlorobut-1-enyl)-1,3-thiazol-2-yl]morpholine
CID 170499858
4-(2-morpholin-4-yl-1,3-thiazol-4-yl)but-3-en-1-ol
CID 170477281
4-[4-(3-chloroprop-1-enyl)-1,3-thiazol-2-yl]morpholine
CID 169478013
(2-morpholin-4-yl-1,3-thiazol-4-yl)boronic acid
CID 66632378
1,3-bis[(2-morpholin-4-yl-1,3-thiazole-4-carbonyl)amino]urea
CID 24574552
[4,5-dibromo-1-(2-morpholin-4-yl-1,3-thiazol-4-yl)imidazol-2-yl]methanol
CID 135171523
4-(3-bromo-1,2,4-thiadiazol-5-yl)morpholine
CID 66634232
(Z)-1-cyclopropyl-4-(2-morpholin-4-yl-1,3-thiazol-4-yl)but-2-en-1-one
CID 143695893
4-(2-morpholin-4-yl-1,3-thiazol-4-yl)oxan-4-amine
CID 114275536
4-(2-morpholin-4-yl-1,3-thiazol-4-yl)but-3-ynenitrile
CID 170475542
4-[4-(5-bromo-2-pyridinyl)-1,3-thiazol-2-yl]morpholine
CID 122154769
4-[4-(4,5-diiodoimidazol-1-yl)-1,3-thiazol-2-yl]morpholine
CID 118710795

Frequently Asked Questions

What is the IUPAC name of 4-[4-(4-bromobut-1-enyl)-1,3-thiazol-2-yl]morpholine?
The IUPAC name of 4-[4-(4-bromobut-1-enyl)-1,3-thiazol-2-yl]morpholine (CID 170498163) is 4-[4-(4-bromobut-1-enyl)-1,3-thiazol-2-yl]morpholine.
What is the SMILES notation for 4-[4-(4-bromobut-1-enyl)-1,3-thiazol-2-yl]morpholine?
The canonical SMILES for 4-[4-(4-bromobut-1-enyl)-1,3-thiazol-2-yl]morpholine is BrCCC=Cc1csc(N2CCOCC2)n1.
What is the InChIKey of 4-[4-(4-bromobut-1-enyl)-1,3-thiazol-2-yl]morpholine?
The InChIKey is WSBDRDHPQFKDIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrN2OS/c12-4-2-1-3-10-9-16-11(13-10)14-5-7-15-8-6-14/h1,3,9H,2,4-8H2.
What are the key properties of 4-[4-(4-bromobut-1-enyl)-1,3-thiazol-2-yl]morpholine?
4-[4-(4-bromobut-1-enyl)-1,3-thiazol-2-yl]morpholine has a molecular weight of 303.23 g/mol, XLogP of 2.78, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(4-bromobut-1-enyl)-1,3-thiazol-2-yl]morpholine is sourced from PubChem (CID 170498163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).