methyl 4-(4-chloro-1,3-thiazol-2-yl)morpholine-3-carboxylate

C9H11ClN2O3S — CID 104775148

IUPACmethyl 4-(4-chloro-1,3-thiazol-2-yl)morpholine-3-carboxylate
SMILESCOC(=O)C1COCCN1c1nc(Cl)cs1
InChIInChI=1S/C9H11ClN2O3S/c1-14-8(13)6-4-15-3-2-12(6)9-11-7(10)5-16-9/h5-6H,2-4H2,1H3
InChIKeyVYURIEIZQFJTEA-UHFFFAOYSA-N
MW262.72 g/mol
LogP1.17
Rot. Bonds2

About methyl 4-(4-chloro-1,3-thiazol-2-yl)morpholine-3-carboxylate

methyl 4-(4-chloro-1,3-thiazol-2-yl)morpholine-3-carboxylate (PubChem CID 104775148) has the molecular formula C9H11ClN2O3S and a molecular weight of 262.72 g/mol. Its IUPAC name is methyl 4-(4-chloro-1,3-thiazol-2-yl)morpholine-3-carboxylate.

Molecular Properties

Compound Namemethyl 4-(4-chloro-1,3-thiazol-2-yl)morpholine-3-carboxylate
PubChem CID104775148
Molecular FormulaC9H11ClN2O3S
Molecular Weight262.72 g/mol
Exact Mass262.02
IUPAC Namemethyl 4-(4-chloro-1,3-thiazol-2-yl)morpholine-3-carboxylate
SMILESCOC(=O)C1COCCN1c1nc(Cl)cs1
InChIInChI=1S/C9H11ClN2O3S/c1-14-8(13)6-4-15-3-2-12(6)9-11-7(10)5-16-9/h5-6H,2-4H2,1H3
InChIKeyVYURIEIZQFJTEA-UHFFFAOYSA-N
XLogP1.17
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.72
LogP ≤ 51.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-(4-chloro-1,3-thiazol-2-yl)-3-ethylmorpholine
CID 83157051
4-(4-chloro-1,3-thiazol-2-yl)-3-methyl-1,4-oxazepane
CID 130804649
methyl 4-(3-chloro-2-pyridinyl)morpholine-3-carboxylate
CID 104775121
methyl 4-(3,6-dichloropyridine-2-carbonyl)morpholine-3-carboxylate
CID 115669971
methyl 4-(3-methylpyrazin-2-yl)morpholine-3-carboxylate
CID 104775194
methyl 4-(3-chlorothiophene-2-carbonyl)morpholine-3-carboxylate
CID 104774896
1-(4-chloro-1,3-thiazol-2-yl)pyrrolidine-2-carboxylic acid
CID 83152836
methyl 4-(5-fluoropyrimidin-2-yl)morpholine-3-carboxylate
CID 104775170
methyl 2-(3-ethylmorpholin-4-yl)-1,3-thiazole-4-carboxylate
CID 115423633
methyl 1-(4-methyl-1,3-thiazol-2-yl)piperidine-2-carboxylate
CID 115538300
methyl 4-(3-cyano-6-methyl-2-pyridinyl)morpholine-3-carboxylate
CID 104774583
4-(4-chloro-1,3-thiazol-2-yl)thiomorpholine-3-carboxylic acid
CID 83153211

Frequently Asked Questions

What is the IUPAC name of methyl 4-(4-chloro-1,3-thiazol-2-yl)morpholine-3-carboxylate?
The IUPAC name of methyl 4-(4-chloro-1,3-thiazol-2-yl)morpholine-3-carboxylate (CID 104775148) is methyl 4-(4-chloro-1,3-thiazol-2-yl)morpholine-3-carboxylate.
What is the SMILES notation for methyl 4-(4-chloro-1,3-thiazol-2-yl)morpholine-3-carboxylate?
The canonical SMILES for methyl 4-(4-chloro-1,3-thiazol-2-yl)morpholine-3-carboxylate is COC(=O)C1COCCN1c1nc(Cl)cs1.
What is the InChIKey of methyl 4-(4-chloro-1,3-thiazol-2-yl)morpholine-3-carboxylate?
The InChIKey is VYURIEIZQFJTEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11ClN2O3S/c1-14-8(13)6-4-15-3-2-12(6)9-11-7(10)5-16-9/h5-6H,2-4H2,1H3.
What are the key properties of methyl 4-(4-chloro-1,3-thiazol-2-yl)morpholine-3-carboxylate?
methyl 4-(4-chloro-1,3-thiazol-2-yl)morpholine-3-carboxylate has a molecular weight of 262.72 g/mol, XLogP of 1.17, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(4-chloro-1,3-thiazol-2-yl)morpholine-3-carboxylate is sourced from PubChem (CID 104775148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).