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

C10H12ClN3OS — CID 47214656

IUPAC3-chloro-5-(2,6-dimethylmorpholin-4-yl)-1,2-thiazole-4-carbonitrile
SMILESCC1CN(c2snc(Cl)c2C#N)CC(C)O1
InChIInChI=1S/C10H12ClN3OS/c1-6-4-14(5-7(2)15-6)10-8(3-12)9(11)13-16-10/h6-7H,4-5H2,1-2H3
InChIKeyPAUGXSSEXBKTEI-UHFFFAOYSA-N
MW257.75 g/mol
LogP2.28
Rot. Bonds1

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

3-chloro-5-(2,6-dimethylmorpholin-4-yl)-1,2-thiazole-4-carbonitrile (PubChem CID 47214656) has the molecular formula C10H12ClN3OS and a molecular weight of 257.75 g/mol. Its IUPAC name is 3-chloro-5-(2,6-dimethylmorpholin-4-yl)-1,2-thiazole-4-carbonitrile.

Molecular Properties

Compound Name3-chloro-5-(2,6-dimethylmorpholin-4-yl)-1,2-thiazole-4-carbonitrile
PubChem CID47214656
Molecular FormulaC10H12ClN3OS
Molecular Weight257.75 g/mol
Exact Mass257.04
IUPAC Name3-chloro-5-(2,6-dimethylmorpholin-4-yl)-1,2-thiazole-4-carbonitrile
SMILESCC1CN(c2snc(Cl)c2C#N)CC(C)O1
InChIInChI=1S/C10H12ClN3OS/c1-6-4-14(5-7(2)15-6)10-8(3-12)9(11)13-16-10/h6-7H,4-5H2,1-2H3
InChIKeyPAUGXSSEXBKTEI-UHFFFAOYSA-N
XLogP2.28
TPSA49.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.75
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-Chloro-5-[(2-morpholinoethyl)amino]-4-isothiazolecarbonitrile
CID 3787752
3-Chloro-5-(4-morpholinyl)-4-isothiazolecarbonitrile
CID 47214662
3-Chloro-5-[2-hydroxyethyl-[2-(2,2,2-trifluoroethoxy)ethyl]amino]-1,2-thiazole-4-carbonitrile
CID 109946321
3-Chloro-5-[(2-methyl-2-morpholin-4-ylpropyl)amino]-1,2-thiazole-4-carbonitrile
CID 47214821
5-[Bis(2-methoxyethyl)amino]-3-chloro-1,2-thiazole-4-carbonitrile
CID 56804294
3-Chloro-5-[4-(2-morpholin-4-ylethyl)piperidin-1-yl]-1,2-thiazole-4-carbonitrile
CID 56805160
3-Chloro-5-(2,2-dimethylmorpholin-4-yl)-1,2-thiazole-4-carbonitrile
CID 53509173
3-Chloro-5-(2-morpholin-4-ium-4-ylethylamino)-1,2-thiazole-4-carbonitrile
CID 7101845
3-Chloro-5-(2-ethylmorpholin-4-yl)-1,2-thiazole-4-carbonitrile
CID 42962414
3-Chloro-5-(2-methoxyethylamino)-1,2-thiazole-4-carbonitrile
CID 47214811
3-Chloro-5-(3-hydroxypiperidin-1-yl)-1,2-thiazole-4-carbonitrile
CID 47277215
3-Chloro-5-[4-(2-hydroxyethyl)piperazin-1-yl]-1,2-thiazole-4-carbonitrile
CID 47277311

Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-(2,6-dimethylmorpholin-4-yl)-1,2-thiazole-4-carbonitrile?
The IUPAC name of 3-chloro-5-(2,6-dimethylmorpholin-4-yl)-1,2-thiazole-4-carbonitrile (CID 47214656) is 3-chloro-5-(2,6-dimethylmorpholin-4-yl)-1,2-thiazole-4-carbonitrile.
What is the SMILES notation for 3-chloro-5-(2,6-dimethylmorpholin-4-yl)-1,2-thiazole-4-carbonitrile?
The canonical SMILES for 3-chloro-5-(2,6-dimethylmorpholin-4-yl)-1,2-thiazole-4-carbonitrile is CC1CN(c2snc(Cl)c2C#N)CC(C)O1.
What is the InChIKey of 3-chloro-5-(2,6-dimethylmorpholin-4-yl)-1,2-thiazole-4-carbonitrile?
The InChIKey is PAUGXSSEXBKTEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClN3OS/c1-6-4-14(5-7(2)15-6)10-8(3-12)9(11)13-16-10/h6-7H,4-5H2,1-2H3.
What are the key properties of 3-chloro-5-(2,6-dimethylmorpholin-4-yl)-1,2-thiazole-4-carbonitrile?
3-chloro-5-(2,6-dimethylmorpholin-4-yl)-1,2-thiazole-4-carbonitrile has a molecular weight of 257.75 g/mol, XLogP of 2.28, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5-(2,6-dimethylmorpholin-4-yl)-1,2-thiazole-4-carbonitrile is sourced from PubChem (CID 47214656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).