(6S)-4-[4-(5-bromo-1,3,4-thiadiazol-2-yl)phenyl]-2,2,6-trimethylmorpholine

C15H18BrN3OS — CID 95789066

IUPAC(6S)-4-[4-(5-bromo-1,3,4-thiadiazol-2-yl)phenyl]-2,2,6-trimethylmorpholine
SMILESC[C@H]1CN(c2ccc(-c3nnc(Br)s3)cc2)CC(C)(C)O1
InChIInChI=1S/C15H18BrN3OS/c1-10-8-19(9-15(2,3)20-10)12-6-4-11(5-7-12)13-17-18-14(16)21-13/h4-7,10H,8-9H2,1-3H3/t10-/m0/s1
InChIKeySIWWPLOWBCOEEJ-JTQLQIEISA-N
MW368.30 g/mol
LogP3.97
Rot. Bonds2

About (6S)-4-[4-(5-bromo-1,3,4-thiadiazol-2-yl)phenyl]-2,2,6-trimethylmorpholine

(6S)-4-[4-(5-bromo-1,3,4-thiadiazol-2-yl)phenyl]-2,2,6-trimethylmorpholine (PubChem CID 95789066) has the molecular formula C15H18BrN3OS and a molecular weight of 368.30 g/mol. Its IUPAC name is (6S)-4-[4-(5-bromo-1,3,4-thiadiazol-2-yl)phenyl]-2,2,6-trimethylmorpholine.

Molecular Properties

Compound Name(6S)-4-[4-(5-bromo-1,3,4-thiadiazol-2-yl)phenyl]-2,2,6-trimethylmorpholine
PubChem CID95789066
Molecular FormulaC15H18BrN3OS
Molecular Weight368.30 g/mol
Exact Mass367.04
IUPAC Name(6S)-4-[4-(5-bromo-1,3,4-thiadiazol-2-yl)phenyl]-2,2,6-trimethylmorpholine
SMILESC[C@H]1CN(c2ccc(-c3nnc(Br)s3)cc2)CC(C)(C)O1
InChIInChI=1S/C15H18BrN3OS/c1-10-8-19(9-15(2,3)20-10)12-6-4-11(5-7-12)13-17-18-14(16)21-13/h4-7,10H,8-9H2,1-3H3/t10-/m0/s1
InChIKeySIWWPLOWBCOEEJ-JTQLQIEISA-N
XLogP3.97
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.30
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (6S)-4-[4-(5-bromo-1,3,4-thiadiazol-2-yl)phenyl]-2,2,6-trimethylmorpholine?
The IUPAC name of (6S)-4-[4-(5-bromo-1,3,4-thiadiazol-2-yl)phenyl]-2,2,6-trimethylmorpholine (CID 95789066) is (6S)-4-[4-(5-bromo-1,3,4-thiadiazol-2-yl)phenyl]-2,2,6-trimethylmorpholine.
What is the SMILES notation for (6S)-4-[4-(5-bromo-1,3,4-thiadiazol-2-yl)phenyl]-2,2,6-trimethylmorpholine?
The canonical SMILES for (6S)-4-[4-(5-bromo-1,3,4-thiadiazol-2-yl)phenyl]-2,2,6-trimethylmorpholine is C[C@H]1CN(c2ccc(-c3nnc(Br)s3)cc2)CC(C)(C)O1.
What is the InChIKey of (6S)-4-[4-(5-bromo-1,3,4-thiadiazol-2-yl)phenyl]-2,2,6-trimethylmorpholine?
The InChIKey is SIWWPLOWBCOEEJ-JTQLQIEISA-N. The full InChI is InChI=1S/C15H18BrN3OS/c1-10-8-19(9-15(2,3)20-10)12-6-4-11(5-7-12)13-17-18-14(16)21-13/h4-7,10H,8-9H2,1-3H3/t10-/m0/s1.
What are the key properties of (6S)-4-[4-(5-bromo-1,3,4-thiadiazol-2-yl)phenyl]-2,2,6-trimethylmorpholine?
(6S)-4-[4-(5-bromo-1,3,4-thiadiazol-2-yl)phenyl]-2,2,6-trimethylmorpholine has a molecular weight of 368.30 g/mol, XLogP of 3.97, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-4-[4-(5-bromo-1,3,4-thiadiazol-2-yl)phenyl]-2,2,6-trimethylmorpholine is sourced from PubChem (CID 95789066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).