2-[4-[2-(4-methoxyphenyl)-1,3-thiazole-5-carbonyl]thiomorpholin-3-yl]acetic acid

C17H18N2O4S2 — CID 119210977

IUPAC2-[4-[2-(4-methoxyphenyl)-1,3-thiazole-5-carbonyl]thiomorpholin-3-yl]acetic acid
SMILESCOc1ccc(-c2ncc(C(=O)N3CCSCC3CC(=O)O)s2)cc1
InChIInChI=1S/C17H18N2O4S2/c1-23-13-4-2-11(3-5-13)16-18-9-14(25-16)17(22)19-6-7-24-10-12(19)8-15(20)21/h2-5,9,12H,6-8,10H2,1H3,(H,20,21)
InChIKeyCLDOLCQWLJPOQV-UHFFFAOYSA-N
MW378.48 g/mol
LogP2.85
Rot. Bonds5

About 2-[4-[2-(4-methoxyphenyl)-1,3-thiazole-5-carbonyl]thiomorpholin-3-yl]acetic acid

2-[4-[2-(4-methoxyphenyl)-1,3-thiazole-5-carbonyl]thiomorpholin-3-yl]acetic acid (PubChem CID 119210977) has the molecular formula C17H18N2O4S2 and a molecular weight of 378.48 g/mol. Its IUPAC name is 2-[4-[2-(4-methoxyphenyl)-1,3-thiazole-5-carbonyl]thiomorpholin-3-yl]acetic acid.

Molecular Properties

Compound Name2-[4-[2-(4-methoxyphenyl)-1,3-thiazole-5-carbonyl]thiomorpholin-3-yl]acetic acid
PubChem CID119210977
Molecular FormulaC17H18N2O4S2
Molecular Weight378.48 g/mol
Exact Mass378.07
IUPAC Name2-[4-[2-(4-methoxyphenyl)-1,3-thiazole-5-carbonyl]thiomorpholin-3-yl]acetic acid
SMILESCOc1ccc(-c2ncc(C(=O)N3CCSCC3CC(=O)O)s2)cc1
InChIInChI=1S/C17H18N2O4S2/c1-23-13-4-2-11(3-5-13)16-18-9-14(25-16)17(22)19-6-7-24-10-12(19)8-15(20)21/h2-5,9,12H,6-8,10H2,1H3,(H,20,21)
InChIKeyCLDOLCQWLJPOQV-UHFFFAOYSA-N
XLogP2.85
TPSA79.73 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.48
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[4-(2-methyl-1,3-thiazole-5-carbonyl)thiomorpholin-3-yl]acetic acid
CID 103790667
3-[(2R)-1-[2-(4-methoxyphenyl)-1,3-thiazole-5-carbonyl]piperidin-2-yl]propanoic acid
CID 124691573
1-[2-(4-methoxyphenyl)-1,3-thiazole-5-carbonyl]pyrrolidine-2-carboxylic acid
CID 119355418
2-[(3S)-4-(2,5-dimethoxybenzoyl)thiomorpholin-3-yl]acetic acid
CID 97318583
2-[4-(2-benzyl-4-methyl-1,3-thiazole-5-carbonyl)thiomorpholin-3-yl]acetic acid
CID 119210927
2-[4-(6-phenoxypyridine-3-carbonyl)thiomorpholin-3-yl]acetic acid
CID 120520635
[2-(4-methoxyphenyl)-1,3-thiazol-5-yl]-[4-(methylaminomethyl)piperidin-1-yl]methanone
CID 119545366
[2-(4-methoxyphenyl)-1,3-thiazol-5-yl]-(1-oxo-1,4-thiazinan-4-yl)methanone
CID 71994882
(4-fluorophenyl)-[4-[2-(4-methoxyphenyl)-1,3-thiazole-5-carbonyl]piperazin-1-yl]methanone
CID 139004966
2-[4-[4-(phenoxymethyl)benzoyl]thiomorpholin-3-yl]acetic acid
CID 119210867
2-[4-(2-tert-butyl-4-methyl-1,3-thiazole-5-carbonyl)thiomorpholin-3-yl]acetic acid
CID 119210951
2-[4-(pyridazine-4-carbonyl)thiomorpholin-3-yl]acetic acid
CID 113352819

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-(4-methoxyphenyl)-1,3-thiazole-5-carbonyl]thiomorpholin-3-yl]acetic acid?
The IUPAC name of 2-[4-[2-(4-methoxyphenyl)-1,3-thiazole-5-carbonyl]thiomorpholin-3-yl]acetic acid (CID 119210977) is 2-[4-[2-(4-methoxyphenyl)-1,3-thiazole-5-carbonyl]thiomorpholin-3-yl]acetic acid.
What is the SMILES notation for 2-[4-[2-(4-methoxyphenyl)-1,3-thiazole-5-carbonyl]thiomorpholin-3-yl]acetic acid?
The canonical SMILES for 2-[4-[2-(4-methoxyphenyl)-1,3-thiazole-5-carbonyl]thiomorpholin-3-yl]acetic acid is COc1ccc(-c2ncc(C(=O)N3CCSCC3CC(=O)O)s2)cc1.
What is the InChIKey of 2-[4-[2-(4-methoxyphenyl)-1,3-thiazole-5-carbonyl]thiomorpholin-3-yl]acetic acid?
The InChIKey is CLDOLCQWLJPOQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O4S2/c1-23-13-4-2-11(3-5-13)16-18-9-14(25-16)17(22)19-6-7-24-10-12(19)8-15(20)21/h2-5,9,12H,6-8,10H2,1H3,(H,20,21).
What are the key properties of 2-[4-[2-(4-methoxyphenyl)-1,3-thiazole-5-carbonyl]thiomorpholin-3-yl]acetic acid?
2-[4-[2-(4-methoxyphenyl)-1,3-thiazole-5-carbonyl]thiomorpholin-3-yl]acetic acid has a molecular weight of 378.48 g/mol, XLogP of 2.85, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-(4-methoxyphenyl)-1,3-thiazole-5-carbonyl]thiomorpholin-3-yl]acetic acid is sourced from PubChem (CID 119210977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).