5-bromo-2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-1,3-thiazole-4-carbonitrile

C10H12BrN3OS — CID 67216779

IUPAC5-bromo-2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-1,3-thiazole-4-carbonitrile
SMILESC[C@@H]1CN(c2nc(C#N)c(Br)s2)C[C@H](C)O1
InChIInChI=1S/C10H12BrN3OS/c1-6-4-14(5-7(2)15-6)10-13-8(3-12)9(11)16-10/h6-7H,4-5H2,1-2H3/t6-,7+
InChIKeyVENHCXFPZMXYAH-KNVOCYPGSA-N
MW302.20 g/mol
LogP2.39
Rot. Bonds1

About 5-bromo-2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-1,3-thiazole-4-carbonitrile

5-bromo-2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-1,3-thiazole-4-carbonitrile (PubChem CID 67216779) has the molecular formula C10H12BrN3OS and a molecular weight of 302.20 g/mol. Its IUPAC name is 5-bromo-2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-1,3-thiazole-4-carbonitrile.

Molecular Properties

Compound Name5-bromo-2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-1,3-thiazole-4-carbonitrile
PubChem CID67216779
Molecular FormulaC10H12BrN3OS
Molecular Weight302.20 g/mol
Exact Mass300.99
IUPAC Name5-bromo-2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-1,3-thiazole-4-carbonitrile
SMILESC[C@@H]1CN(c2nc(C#N)c(Br)s2)C[C@H](C)O1
InChIInChI=1S/C10H12BrN3OS/c1-6-4-14(5-7(2)15-6)10-13-8(3-12)9(11)16-10/h6-7H,4-5H2,1-2H3/t6-,7+
InChIKeyVENHCXFPZMXYAH-KNVOCYPGSA-N
XLogP2.39
TPSA49.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.20
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 5-bromo-2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-1,3-thiazole-4-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

CID 83554009
CID 83554009
CID 166237856
CID 166237856
CID 166237867
CID 166237867
CID 166243697
CID 166243697
CID 67216017
CID 67216017
CID 67216020
CID 67216020
CID 67216780
CID 67216780
CID 68316787
CID 68316787
CID 88917394
CID 88917394
CID 117981364
CID 117981364
CID 130179591
CID 130179591
CID 154002466
CID 154002466

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-1,3-thiazole-4-carbonitrile?
The IUPAC name of 5-bromo-2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-1,3-thiazole-4-carbonitrile (CID 67216779) is 5-bromo-2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-1,3-thiazole-4-carbonitrile.
What is the SMILES notation for 5-bromo-2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-1,3-thiazole-4-carbonitrile?
The canonical SMILES for 5-bromo-2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-1,3-thiazole-4-carbonitrile is C[C@@H]1CN(c2nc(C#N)c(Br)s2)C[C@H](C)O1.
What is the InChIKey of 5-bromo-2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-1,3-thiazole-4-carbonitrile?
The InChIKey is VENHCXFPZMXYAH-KNVOCYPGSA-N. The full InChI is InChI=1S/C10H12BrN3OS/c1-6-4-14(5-7(2)15-6)10-13-8(3-12)9(11)16-10/h6-7H,4-5H2,1-2H3/t6-,7+.
What are the key properties of 5-bromo-2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-1,3-thiazole-4-carbonitrile?
5-bromo-2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-1,3-thiazole-4-carbonitrile has a molecular weight of 302.20 g/mol, XLogP of 2.39, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-1,3-thiazole-4-carbonitrile is sourced from PubChem (CID 67216779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).