methyl 2-[4-[(5-chlorothiadiazol-4-yl)methyl]morpholin-2-yl]acetate

C10H14ClN3O3S — CID 79823058

IUPACmethyl 2-[4-[(5-chlorothiadiazol-4-yl)methyl]morpholin-2-yl]acetate
SMILESCOC(=O)CC1CN(Cc2nnsc2Cl)CCO1
InChIInChI=1S/C10H14ClN3O3S/c1-16-9(15)4-7-5-14(2-3-17-7)6-8-10(11)18-13-12-8/h7H,2-6H2,1H3
InChIKeyMKUFGBHUVYBDGI-UHFFFAOYSA-N
MW291.76 g/mol
LogP0.96
Rot. Bonds4

About methyl 2-[4-[(5-chlorothiadiazol-4-yl)methyl]morpholin-2-yl]acetate

methyl 2-[4-[(5-chlorothiadiazol-4-yl)methyl]morpholin-2-yl]acetate (PubChem CID 79823058) has the molecular formula C10H14ClN3O3S and a molecular weight of 291.76 g/mol. Its IUPAC name is methyl 2-[4-[(5-chlorothiadiazol-4-yl)methyl]morpholin-2-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[4-[(5-chlorothiadiazol-4-yl)methyl]morpholin-2-yl]acetate
PubChem CID79823058
Molecular FormulaC10H14ClN3O3S
Molecular Weight291.76 g/mol
Exact Mass291.04
IUPAC Namemethyl 2-[4-[(5-chlorothiadiazol-4-yl)methyl]morpholin-2-yl]acetate
SMILESCOC(=O)CC1CN(Cc2nnsc2Cl)CCO1
InChIInChI=1S/C10H14ClN3O3S/c1-16-9(15)4-7-5-14(2-3-17-7)6-8-10(11)18-13-12-8/h7H,2-6H2,1H3
InChIKeyMKUFGBHUVYBDGI-UHFFFAOYSA-N
XLogP0.96
TPSA64.55 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.76
LogP ≤ 50.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze methyl 2-[4-[(5-chlorothiadiazol-4-yl)methyl]morpholin-2-yl]acetate with MolForge

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Related Compounds

methyl 2-[(2R)-4-[(2-chlorophenyl)methyl]morpholin-2-yl]acetate
CID 97062552
methyl 2-[4-[(2,6-dichloro-3-pyridinyl)methyl]morpholin-2-yl]acetate
CID 104969525
(2R)-4-[(5-chlorothiadiazol-4-yl)methyl]-2-(pyrazol-1-ylmethyl)morpholine
CID 95278646
methyl 2-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]morpholin-2-yl]acetate
CID 79822612
methyl 2-[4-(1,2-oxazol-4-ylmethyl)morpholin-2-yl]acetate
CID 115537759
methyl 2-[4-(1,2,4-oxadiazol-3-ylmethyl)morpholin-2-yl]acetate
CID 115537740
methyl 2-[4-(2-morpholin-4-ylethyl)morpholin-2-yl]acetate
CID 79822697
methyl 2-[4-[(2,5-dimethylphenyl)methyl]morpholin-2-yl]acetate
CID 79822519
N-ethyl-4-[(2-ethylmorpholin-4-yl)methyl]thiadiazol-5-amine
CID 55046502
methyl 2-[4-[(3-methylphenyl)methyl]morpholin-2-yl]acetate
CID 79822269
methyl 5-[[2-(2-methoxy-2-oxoethyl)morpholin-4-yl]methyl]furan-2-carboxylate
CID 79827347
methyl 2-[4-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]morpholin-2-yl]acetate
CID 79827344

Frequently Asked Questions

What is the IUPAC name of methyl 2-[4-[(5-chlorothiadiazol-4-yl)methyl]morpholin-2-yl]acetate?
The IUPAC name of methyl 2-[4-[(5-chlorothiadiazol-4-yl)methyl]morpholin-2-yl]acetate (CID 79823058) is methyl 2-[4-[(5-chlorothiadiazol-4-yl)methyl]morpholin-2-yl]acetate.
What is the SMILES notation for methyl 2-[4-[(5-chlorothiadiazol-4-yl)methyl]morpholin-2-yl]acetate?
The canonical SMILES for methyl 2-[4-[(5-chlorothiadiazol-4-yl)methyl]morpholin-2-yl]acetate is COC(=O)CC1CN(Cc2nnsc2Cl)CCO1.
What is the InChIKey of methyl 2-[4-[(5-chlorothiadiazol-4-yl)methyl]morpholin-2-yl]acetate?
The InChIKey is MKUFGBHUVYBDGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClN3O3S/c1-16-9(15)4-7-5-14(2-3-17-7)6-8-10(11)18-13-12-8/h7H,2-6H2,1H3.
What are the key properties of methyl 2-[4-[(5-chlorothiadiazol-4-yl)methyl]morpholin-2-yl]acetate?
methyl 2-[4-[(5-chlorothiadiazol-4-yl)methyl]morpholin-2-yl]acetate has a molecular weight of 291.76 g/mol, XLogP of 0.96, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[4-[(5-chlorothiadiazol-4-yl)methyl]morpholin-2-yl]acetate is sourced from PubChem (CID 79823058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).