2-[4-[4-(2-methyl-1,3-thiazol-4-yl)butanoyl]morpholin-2-yl]acetic acid

C14H20N2O4S — CID 120527590

IUPAC2-[4-[4-(2-methyl-1,3-thiazol-4-yl)butanoyl]morpholin-2-yl]acetic acid
SMILESCc1nc(CCCC(=O)N2CCOC(CC(=O)O)C2)cs1
InChIInChI=1S/C14H20N2O4S/c1-10-15-11(9-21-10)3-2-4-13(17)16-5-6-20-12(8-16)7-14(18)19/h9,12H,2-8H2,1H3,(H,18,19)
InChIKeyGMZZKFJSKASPKT-UHFFFAOYSA-N
MW312.39 g/mol
LogP1.48
Rot. Bonds6

About 2-[4-[4-(2-methyl-1,3-thiazol-4-yl)butanoyl]morpholin-2-yl]acetic acid

2-[4-[4-(2-methyl-1,3-thiazol-4-yl)butanoyl]morpholin-2-yl]acetic acid (PubChem CID 120527590) has the molecular formula C14H20N2O4S and a molecular weight of 312.39 g/mol. Its IUPAC name is 2-[4-[4-(2-methyl-1,3-thiazol-4-yl)butanoyl]morpholin-2-yl]acetic acid.

Molecular Properties

Compound Name2-[4-[4-(2-methyl-1,3-thiazol-4-yl)butanoyl]morpholin-2-yl]acetic acid
PubChem CID120527590
Molecular FormulaC14H20N2O4S
Molecular Weight312.39 g/mol
Exact Mass312.11
IUPAC Name2-[4-[4-(2-methyl-1,3-thiazol-4-yl)butanoyl]morpholin-2-yl]acetic acid
SMILESCc1nc(CCCC(=O)N2CCOC(CC(=O)O)C2)cs1
InChIInChI=1S/C14H20N2O4S/c1-10-15-11(9-21-10)3-2-4-13(17)16-5-6-20-12(8-16)7-14(18)19/h9,12H,2-8H2,1H3,(H,18,19)
InChIKeyGMZZKFJSKASPKT-UHFFFAOYSA-N
XLogP1.48
TPSA79.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.39
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(1R,6S,7S)-3-[4-(2-methyl-1,3-thiazol-4-yl)butanoyl]-3-azabicyclo[4.1.0]heptane-7-carboxylic acid
CID 166254800
1-[2-(hydroxymethyl)morpholin-4-yl]-2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]ethanone
CID 81208290
1-(3-aminopiperidin-1-yl)-4-(2-methyl-1,3-thiazol-4-yl)butan-1-one
CID 119378285
1-(3,5-dimethylpiperazin-1-yl)-4-(2-methyl-1,3-thiazol-4-yl)butan-1-one
CID 119564329
2-[4-[4-(1,3-benzothiazol-2-yl)butanoyl]morpholin-2-yl]acetic acid
CID 119247708
2-[(2R)-4-[4-(1,3-benzothiazol-2-yl)butanoyl]morpholin-2-yl]acetic acid
CID 124704903
2-[4-[3-(1,3-thiazol-2-yl)propanoyl]morpholin-2-yl]acetic acid
CID 119248715
(2R)-2-ethyl-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]morpholine-4-carboxamide
CID 97097729
2-[4-[3-(2,4-dimethylphenyl)propanoyl]morpholin-2-yl]acetic acid
CID 119248342
2-[(2S)-4-[3-(4-chlorothiophen-2-yl)propanoyl]morpholin-2-yl]acetic acid
CID 124702416
2-[4-[5-(4-methoxyphenyl)-5-oxopentanoyl]morpholin-2-yl]acetic acid
CID 120687850
1-[(3S)-3-(4-methoxyphenyl)pyrrolidin-1-yl]-4-(2-methyl-1,3-thiazol-4-yl)butan-1-one
CID 96529429

Frequently Asked Questions

What is the IUPAC name of 2-[4-[4-(2-methyl-1,3-thiazol-4-yl)butanoyl]morpholin-2-yl]acetic acid?
The IUPAC name of 2-[4-[4-(2-methyl-1,3-thiazol-4-yl)butanoyl]morpholin-2-yl]acetic acid (CID 120527590) is 2-[4-[4-(2-methyl-1,3-thiazol-4-yl)butanoyl]morpholin-2-yl]acetic acid.
What is the SMILES notation for 2-[4-[4-(2-methyl-1,3-thiazol-4-yl)butanoyl]morpholin-2-yl]acetic acid?
The canonical SMILES for 2-[4-[4-(2-methyl-1,3-thiazol-4-yl)butanoyl]morpholin-2-yl]acetic acid is Cc1nc(CCCC(=O)N2CCOC(CC(=O)O)C2)cs1.
What is the InChIKey of 2-[4-[4-(2-methyl-1,3-thiazol-4-yl)butanoyl]morpholin-2-yl]acetic acid?
The InChIKey is GMZZKFJSKASPKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O4S/c1-10-15-11(9-21-10)3-2-4-13(17)16-5-6-20-12(8-16)7-14(18)19/h9,12H,2-8H2,1H3,(H,18,19).
What are the key properties of 2-[4-[4-(2-methyl-1,3-thiazol-4-yl)butanoyl]morpholin-2-yl]acetic acid?
2-[4-[4-(2-methyl-1,3-thiazol-4-yl)butanoyl]morpholin-2-yl]acetic acid has a molecular weight of 312.39 g/mol, XLogP of 1.48, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[4-(2-methyl-1,3-thiazol-4-yl)butanoyl]morpholin-2-yl]acetic acid is sourced from PubChem (CID 120527590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).