methyl 4-chloro-2-(5-ethyl-2-methylmorpholin-4-yl)-1,3-thiazole-5-carboxylate

C12H17ClN2O3S — CID 61424655

IUPACmethyl 4-chloro-2-(5-ethyl-2-methylmorpholin-4-yl)-1,3-thiazole-5-carboxylate
SMILESCCC1COC(C)CN1c1nc(Cl)c(C(=O)OC)s1
InChIInChI=1S/C12H17ClN2O3S/c1-4-8-6-18-7(2)5-15(8)12-14-10(13)9(19-12)11(16)17-3/h7-8H,4-6H2,1-3H3
InChIKeyYRFDEKKAJXZLDL-UHFFFAOYSA-N
MW304.80 g/mol
LogP2.59
Rot. Bonds3

About methyl 4-chloro-2-(5-ethyl-2-methylmorpholin-4-yl)-1,3-thiazole-5-carboxylate

methyl 4-chloro-2-(5-ethyl-2-methylmorpholin-4-yl)-1,3-thiazole-5-carboxylate (PubChem CID 61424655) has the molecular formula C12H17ClN2O3S and a molecular weight of 304.80 g/mol. Its IUPAC name is methyl 4-chloro-2-(5-ethyl-2-methylmorpholin-4-yl)-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Namemethyl 4-chloro-2-(5-ethyl-2-methylmorpholin-4-yl)-1,3-thiazole-5-carboxylate
PubChem CID61424655
Molecular FormulaC12H17ClN2O3S
Molecular Weight304.80 g/mol
Exact Mass304.06
IUPAC Namemethyl 4-chloro-2-(5-ethyl-2-methylmorpholin-4-yl)-1,3-thiazole-5-carboxylate
SMILESCCC1COC(C)CN1c1nc(Cl)c(C(=O)OC)s1
InChIInChI=1S/C12H17ClN2O3S/c1-4-8-6-18-7(2)5-15(8)12-14-10(13)9(19-12)11(16)17-3/h7-8H,4-6H2,1-3H3
InChIKeyYRFDEKKAJXZLDL-UHFFFAOYSA-N
XLogP2.59
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.80
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 2-(5-ethyl-2-methylmorpholin-4-yl)-5-methyl-1,3-thiazole-4-carboxylate
CID 115424074
methyl 4-chloro-2-(2,4-dimethylpiperazin-1-yl)-1,3-thiazole-5-carboxylate
CID 103894525
methyl 4-chloro-2-(3-methylpyrrolidin-1-yl)-1,3-thiazole-5-carboxylate
CID 61224291
methyl 4-chloro-2-[3-(ethylcarbamoyl)morpholin-4-yl]-1,3-thiazole-5-carboxylate
CID 83104712
methyl 2-(4-benzyl-3-ethylpiperazin-1-yl)-4-chloro-1,3-thiazole-5-carboxylate
CID 133458534
[4-tert-butyl-2-(5-ethyl-2-methylmorpholin-4-yl)-1,3-thiazol-5-yl]methanol
CID 62780864
methyl 4-chloro-2-[2-(2-hydroxyethyl)piperidin-1-yl]-1,3-thiazole-5-carboxylate
CID 54926768
methyl 4-chloro-2-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-1,3-thiazole-5-carboxylate
CID 114777939
methyl 4-chloro-2-[4-(1-hydroxyethyl)piperidin-1-yl]-1,3-thiazole-5-carboxylate
CID 113234215
methyl 4-chloro-2-[2-(pyrazol-1-ylmethyl)morpholin-4-yl]-1,3-thiazole-5-carboxylate
CID 133281943
methyl 4-chloro-2-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-1,3-thiazole-5-carboxylate
CID 63769140
2-(5-ethyl-2-methylmorpholin-4-yl)-1,3-benzothiazol-6-amine
CID 63231244

Frequently Asked Questions

What is the IUPAC name of methyl 4-chloro-2-(5-ethyl-2-methylmorpholin-4-yl)-1,3-thiazole-5-carboxylate?
The IUPAC name of methyl 4-chloro-2-(5-ethyl-2-methylmorpholin-4-yl)-1,3-thiazole-5-carboxylate (CID 61424655) is methyl 4-chloro-2-(5-ethyl-2-methylmorpholin-4-yl)-1,3-thiazole-5-carboxylate.
What is the SMILES notation for methyl 4-chloro-2-(5-ethyl-2-methylmorpholin-4-yl)-1,3-thiazole-5-carboxylate?
The canonical SMILES for methyl 4-chloro-2-(5-ethyl-2-methylmorpholin-4-yl)-1,3-thiazole-5-carboxylate is CCC1COC(C)CN1c1nc(Cl)c(C(=O)OC)s1.
What is the InChIKey of methyl 4-chloro-2-(5-ethyl-2-methylmorpholin-4-yl)-1,3-thiazole-5-carboxylate?
The InChIKey is YRFDEKKAJXZLDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN2O3S/c1-4-8-6-18-7(2)5-15(8)12-14-10(13)9(19-12)11(16)17-3/h7-8H,4-6H2,1-3H3.
What are the key properties of methyl 4-chloro-2-(5-ethyl-2-methylmorpholin-4-yl)-1,3-thiazole-5-carboxylate?
methyl 4-chloro-2-(5-ethyl-2-methylmorpholin-4-yl)-1,3-thiazole-5-carboxylate has a molecular weight of 304.80 g/mol, XLogP of 2.59, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-chloro-2-(5-ethyl-2-methylmorpholin-4-yl)-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 61424655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).