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

C10H12ClN3OS — CID 42962414

IUPAC3-chloro-5-(2-ethylmorpholin-4-yl)-1,2-thiazole-4-carbonitrile
SMILESCCC1CN(c2snc(Cl)c2C#N)CCO1
InChIInChI=1S/C10H12ClN3OS/c1-2-7-6-14(3-4-15-7)10-8(5-12)9(11)13-16-10/h7H,2-4,6H2,1H3
InChIKeyXNEVFLVWYYELLJ-UHFFFAOYSA-N
MW257.75 g/mol
LogP2.28
Rot. Bonds2

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

3-chloro-5-(2-ethylmorpholin-4-yl)-1,2-thiazole-4-carbonitrile (PubChem CID 42962414) has the molecular formula C10H12ClN3OS and a molecular weight of 257.75 g/mol. Its IUPAC name is 3-chloro-5-(2-ethylmorpholin-4-yl)-1,2-thiazole-4-carbonitrile.

Molecular Properties

Compound Name3-chloro-5-(2-ethylmorpholin-4-yl)-1,2-thiazole-4-carbonitrile
PubChem CID42962414
Molecular FormulaC10H12ClN3OS
Molecular Weight257.75 g/mol
Exact Mass257.04
IUPAC Name3-chloro-5-(2-ethylmorpholin-4-yl)-1,2-thiazole-4-carbonitrile
SMILESCCC1CN(c2snc(Cl)c2C#N)CCO1
InChIInChI=1S/C10H12ClN3OS/c1-2-7-6-14(3-4-15-7)10-8(5-12)9(11)13-16-10/h7H,2-4,6H2,1H3
InChIKeyXNEVFLVWYYELLJ-UHFFFAOYSA-N
XLogP2.28
TPSA49.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
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

Analyze 3-chloro-5-(2-ethylmorpholin-4-yl)-1,2-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

Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-(2-ethylmorpholin-4-yl)-1,2-thiazole-4-carbonitrile?
The IUPAC name of 3-chloro-5-(2-ethylmorpholin-4-yl)-1,2-thiazole-4-carbonitrile (CID 42962414) is 3-chloro-5-(2-ethylmorpholin-4-yl)-1,2-thiazole-4-carbonitrile.
What is the SMILES notation for 3-chloro-5-(2-ethylmorpholin-4-yl)-1,2-thiazole-4-carbonitrile?
The canonical SMILES for 3-chloro-5-(2-ethylmorpholin-4-yl)-1,2-thiazole-4-carbonitrile is CCC1CN(c2snc(Cl)c2C#N)CCO1.
What is the InChIKey of 3-chloro-5-(2-ethylmorpholin-4-yl)-1,2-thiazole-4-carbonitrile?
The InChIKey is XNEVFLVWYYELLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClN3OS/c1-2-7-6-14(3-4-15-7)10-8(5-12)9(11)13-16-10/h7H,2-4,6H2,1H3.
What are the key properties of 3-chloro-5-(2-ethylmorpholin-4-yl)-1,2-thiazole-4-carbonitrile?
3-chloro-5-(2-ethylmorpholin-4-yl)-1,2-thiazole-4-carbonitrile has a molecular weight of 257.75 g/mol, XLogP of 2.28, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5-(2-ethylmorpholin-4-yl)-1,2-thiazole-4-carbonitrile is sourced from PubChem (CID 42962414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).