2-[2-[2-(2,6-dimethylmorpholin-4-yl)ethyl]-4-methyl-1,3-thiazol-5-yl]acetic acid

C14H22N2O3S — CID 82227711

IUPAC2-[2-[2-(2,6-dimethylmorpholin-4-yl)ethyl]-4-methyl-1,3-thiazol-5-yl]acetic acid
SMILESCc1nc(CCN2CC(C)OC(C)C2)sc1CC(=O)O
InChIInChI=1S/C14H22N2O3S/c1-9-7-16(8-10(2)19-9)5-4-13-15-11(3)12(20-13)6-14(17)18/h9-10H,4-8H2,1-3H3,(H,17,18)
InChIKeyOHOZZPZPKBBLMS-UHFFFAOYSA-N
MW298.41 g/mol
LogP1.73
Rot. Bonds5

About 2-[2-[2-(2,6-dimethylmorpholin-4-yl)ethyl]-4-methyl-1,3-thiazol-5-yl]acetic acid

2-[2-[2-(2,6-dimethylmorpholin-4-yl)ethyl]-4-methyl-1,3-thiazol-5-yl]acetic acid (PubChem CID 82227711) has the molecular formula C14H22N2O3S and a molecular weight of 298.41 g/mol. Its IUPAC name is 2-[2-[2-(2,6-dimethylmorpholin-4-yl)ethyl]-4-methyl-1,3-thiazol-5-yl]acetic acid.

Molecular Properties

Compound Name2-[2-[2-(2,6-dimethylmorpholin-4-yl)ethyl]-4-methyl-1,3-thiazol-5-yl]acetic acid
PubChem CID82227711
Molecular FormulaC14H22N2O3S
Molecular Weight298.41 g/mol
Exact Mass298.14
IUPAC Name2-[2-[2-(2,6-dimethylmorpholin-4-yl)ethyl]-4-methyl-1,3-thiazol-5-yl]acetic acid
SMILESCc1nc(CCN2CC(C)OC(C)C2)sc1CC(=O)O
InChIInChI=1S/C14H22N2O3S/c1-9-7-16(8-10(2)19-9)5-4-13-15-11(3)12(20-13)6-14(17)18/h9-10H,4-8H2,1-3H3,(H,17,18)
InChIKeyOHOZZPZPKBBLMS-UHFFFAOYSA-N
XLogP1.73
TPSA62.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.41
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-methyl-2-(2-pyrrolidin-1-ylethyl)-1,3-thiazol-5-yl]acetic acid
CID 82054979
2-[4-methyl-2-[2-(4-methylpiperazin-1-yl)ethyl]-1,3-thiazol-5-yl]acetic acid
CID 82124315
2-[2-[2-(1,4-diazepan-1-yl)ethyl]-4-methyl-1,3-thiazol-5-yl]acetic acid
CID 82227716
2-[4-methyl-2-(pyrrolidin-1-ylmethyl)-1,3-thiazol-5-yl]acetic acid
CID 82117421
2-[2-(2-methoxyethyl)-4-methyl-1,3-thiazol-5-yl]acetic acid
CID 64663104
2-(4-methyl-2-pentyl-1,3-thiazol-5-yl)acetic acid
CID 82054967
2-[4-cyclopropyl-2-[2-(4-methylpiperidin-1-yl)ethyl]-1,3-thiazol-5-yl]acetic acid
CID 82437854
2-[4-ethyl-2-(2-pyrrolidin-1-ylethyl)-1,3-thiazol-5-yl]acetic acid
CID 82430708
3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]propanoic acid
CID 7258532
2-[2-[(2,6-dimethylmorpholin-4-yl)methyl]-1,3-thiazol-4-yl]acetic acid
CID 82032230
2-[2-[2-(cyclopentylamino)-2-oxoethyl]-4-methyl-1,3-thiazol-5-yl]acetic acid
CID 82155063
4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]butanoic acid
CID 27351748

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-(2,6-dimethylmorpholin-4-yl)ethyl]-4-methyl-1,3-thiazol-5-yl]acetic acid?
The IUPAC name of 2-[2-[2-(2,6-dimethylmorpholin-4-yl)ethyl]-4-methyl-1,3-thiazol-5-yl]acetic acid (CID 82227711) is 2-[2-[2-(2,6-dimethylmorpholin-4-yl)ethyl]-4-methyl-1,3-thiazol-5-yl]acetic acid.
What is the SMILES notation for 2-[2-[2-(2,6-dimethylmorpholin-4-yl)ethyl]-4-methyl-1,3-thiazol-5-yl]acetic acid?
The canonical SMILES for 2-[2-[2-(2,6-dimethylmorpholin-4-yl)ethyl]-4-methyl-1,3-thiazol-5-yl]acetic acid is Cc1nc(CCN2CC(C)OC(C)C2)sc1CC(=O)O.
What is the InChIKey of 2-[2-[2-(2,6-dimethylmorpholin-4-yl)ethyl]-4-methyl-1,3-thiazol-5-yl]acetic acid?
The InChIKey is OHOZZPZPKBBLMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3S/c1-9-7-16(8-10(2)19-9)5-4-13-15-11(3)12(20-13)6-14(17)18/h9-10H,4-8H2,1-3H3,(H,17,18).
What are the key properties of 2-[2-[2-(2,6-dimethylmorpholin-4-yl)ethyl]-4-methyl-1,3-thiazol-5-yl]acetic acid?
2-[2-[2-(2,6-dimethylmorpholin-4-yl)ethyl]-4-methyl-1,3-thiazol-5-yl]acetic acid has a molecular weight of 298.41 g/mol, XLogP of 1.73, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-(2,6-dimethylmorpholin-4-yl)ethyl]-4-methyl-1,3-thiazol-5-yl]acetic acid is sourced from PubChem (CID 82227711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).