5-bromo-2-(2,6-dimethylmorpholin-4-yl)-1,3-thiazole-4-carbonitrile

C10H12BrN3OS — CID 67216780

IUPAC5-bromo-2-(2,6-dimethylmorpholin-4-yl)-1,3-thiazole-4-carbonitrile
SMILESCC1CN(c2nc(C#N)c(Br)s2)CC(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
InChIKeyVENHCXFPZMXYAH-UHFFFAOYSA-N
MW302.20 g/mol
LogP2.39
Rot. Bonds1

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

5-bromo-2-(2,6-dimethylmorpholin-4-yl)-1,3-thiazole-4-carbonitrile (PubChem CID 67216780) has the molecular formula C10H12BrN3OS and a molecular weight of 302.20 g/mol. Its IUPAC name is 5-bromo-2-(2,6-dimethylmorpholin-4-yl)-1,3-thiazole-4-carbonitrile.

Molecular Properties

Compound Name5-bromo-2-(2,6-dimethylmorpholin-4-yl)-1,3-thiazole-4-carbonitrile
PubChem CID67216780
Molecular FormulaC10H12BrN3OS
Molecular Weight302.20 g/mol
Exact Mass300.99
IUPAC Name5-bromo-2-(2,6-dimethylmorpholin-4-yl)-1,3-thiazole-4-carbonitrile
SMILESCC1CN(c2nc(C#N)c(Br)s2)CC(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
InChIKeyVENHCXFPZMXYAH-UHFFFAOYSA-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

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Related Compounds

5-Bromo-4-methyl-2-(morpholino)thiazole
CID 83554009
4-[5-Bromo-4-(trifluoromethyl)-1,3-thiazol-2-yl]-2-methyl-6-(trifluoromethyl)morpholine
CID 166237856
4-[5-Bromo-4-(trifluoromethyl)-1,3-thiazol-2-yl]-2-(methoxymethyl)-6-methylmorpholine
CID 166237867
(2S,7R)-4-[5-bromo-4-(trifluoromethyl)-1,3-thiazol-2-yl]-2,7-dimethyl-1,4-oxazepane
CID 166243697
2-(cis-2,6-Dimethyl-morpholin-4-yl)-thiazole-4-carbonitrile
CID 67216017
2-(2,6-Dimethylmorpholin-4-yl)-1,3-thiazole-4-carbonitrile
CID 67216020
5-Bromo-2-(cis-2,6-dimethyl-morpholin-4-yl)-thiazole-4-carbonitrile
CID 67216779
2-[(2R)-2-methylmorpholin-4-yl]-1,3-thiazole-4-carbonitrile
CID 68316787
(2S,6R)-4-(5-bromo-4-isocyano-1,3-thiazol-2-yl)-2,6-dimethylmorpholine
CID 88917394
(2R,6S)-4-[4-(bromomethyl)-1,3-thiazol-2-yl]-2,6-dimethylmorpholine
CID 117981364
4-[4-(Bromomethyl)-1,3-thiazol-2-yl]-2,6-dimethylmorpholine
CID 130179591
4-[4-(Bromomethyl)-5-methyl-1,3-thiazol-2-yl]morpholine
CID 154002466

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(2,6-dimethylmorpholin-4-yl)-1,3-thiazole-4-carbonitrile?
The IUPAC name of 5-bromo-2-(2,6-dimethylmorpholin-4-yl)-1,3-thiazole-4-carbonitrile (CID 67216780) is 5-bromo-2-(2,6-dimethylmorpholin-4-yl)-1,3-thiazole-4-carbonitrile.
What is the SMILES notation for 5-bromo-2-(2,6-dimethylmorpholin-4-yl)-1,3-thiazole-4-carbonitrile?
The canonical SMILES for 5-bromo-2-(2,6-dimethylmorpholin-4-yl)-1,3-thiazole-4-carbonitrile is CC1CN(c2nc(C#N)c(Br)s2)CC(C)O1.
What is the InChIKey of 5-bromo-2-(2,6-dimethylmorpholin-4-yl)-1,3-thiazole-4-carbonitrile?
The InChIKey is VENHCXFPZMXYAH-UHFFFAOYSA-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.
What are the key properties of 5-bromo-2-(2,6-dimethylmorpholin-4-yl)-1,3-thiazole-4-carbonitrile?
5-bromo-2-(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-(2,6-dimethylmorpholin-4-yl)-1,3-thiazole-4-carbonitrile is sourced from PubChem (CID 67216780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).