4-(4-chloro-1,3-thiazol-2-yl)-3-ethylmorpholine

C9H13ClN2OS — CID 83157051

IUPAC4-(4-chloro-1,3-thiazol-2-yl)-3-ethylmorpholine
SMILESCCC1COCCN1c1nc(Cl)cs1
InChIInChI=1S/C9H13ClN2OS/c1-2-7-5-13-4-3-12(7)9-11-8(10)6-14-9/h6-7H,2-5H2,1H3
InChIKeyKGGPCQFGDMRXGV-UHFFFAOYSA-N
MW232.74 g/mol
LogP2.41
Rot. Bonds2

About 4-(4-chloro-1,3-thiazol-2-yl)-3-ethylmorpholine

4-(4-chloro-1,3-thiazol-2-yl)-3-ethylmorpholine (PubChem CID 83157051) has the molecular formula C9H13ClN2OS and a molecular weight of 232.74 g/mol. Its IUPAC name is 4-(4-chloro-1,3-thiazol-2-yl)-3-ethylmorpholine.

Molecular Properties

Compound Name4-(4-chloro-1,3-thiazol-2-yl)-3-ethylmorpholine
PubChem CID83157051
Molecular FormulaC9H13ClN2OS
Molecular Weight232.74 g/mol
Exact Mass232.04
IUPAC Name4-(4-chloro-1,3-thiazol-2-yl)-3-ethylmorpholine
SMILESCCC1COCCN1c1nc(Cl)cs1
InChIInChI=1S/C9H13ClN2OS/c1-2-7-5-13-4-3-12(7)9-11-8(10)6-14-9/h6-7H,2-5H2,1H3
InChIKeyKGGPCQFGDMRXGV-UHFFFAOYSA-N
XLogP2.41
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.74
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-(3-ethylmorpholin-4-yl)-1,3-thiazole-4-carboxylate
CID 115423633
4-(4-chloro-1,3-thiazol-2-yl)-3-methyl-1,4-oxazepane
CID 130804649
methyl 4-(4-chloro-1,3-thiazol-2-yl)morpholine-3-carboxylate
CID 104775148
4-(6-chloro-2-pyridinyl)-3-ethylmorpholine
CID 63585973
4-chloro-6-(3-ethylmorpholin-4-yl)-N-methylpyrimidin-2-amine
CID 76806771
4-chloro-2-(2-ethyl-5-methylpyrrolidin-1-yl)-1,3-thiazole
CID 83220770
[3-chloro-6-(3-ethylmorpholin-4-yl)-2-pyridinyl]methanol
CID 61257087
(3S)-3-ethyl-4-[4-[(3R)-3-methylmorpholin-4-yl]-1,3,5-triazin-2-yl]morpholine
CID 175844619
1-[1-(4-chloro-1,3-thiazol-2-yl)pyrrolidin-2-yl]-N,N-dimethylmethanamine
CID 83155383
4-(5-chloro-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-3-ethylmorpholine
CID 102918480
3-ethyl-4-phenylmorpholine
CID 154695616
[4-cyclopropyl-2-(3-ethylmorpholin-4-yl)-1,3-thiazol-5-yl]methanol
CID 63916252

Frequently Asked Questions

What is the IUPAC name of 4-(4-chloro-1,3-thiazol-2-yl)-3-ethylmorpholine?
The IUPAC name of 4-(4-chloro-1,3-thiazol-2-yl)-3-ethylmorpholine (CID 83157051) is 4-(4-chloro-1,3-thiazol-2-yl)-3-ethylmorpholine.
What is the SMILES notation for 4-(4-chloro-1,3-thiazol-2-yl)-3-ethylmorpholine?
The canonical SMILES for 4-(4-chloro-1,3-thiazol-2-yl)-3-ethylmorpholine is CCC1COCCN1c1nc(Cl)cs1.
What is the InChIKey of 4-(4-chloro-1,3-thiazol-2-yl)-3-ethylmorpholine?
The InChIKey is KGGPCQFGDMRXGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13ClN2OS/c1-2-7-5-13-4-3-12(7)9-11-8(10)6-14-9/h6-7H,2-5H2,1H3.
What are the key properties of 4-(4-chloro-1,3-thiazol-2-yl)-3-ethylmorpholine?
4-(4-chloro-1,3-thiazol-2-yl)-3-ethylmorpholine has a molecular weight of 232.74 g/mol, XLogP of 2.41, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chloro-1,3-thiazol-2-yl)-3-ethylmorpholine is sourced from PubChem (CID 83157051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).