2-[4-[2-(4-propan-2-yloxyphenyl)-1,3-thiazole-4-carbonyl]morpholin-2-yl]acetic acid

C19H22N2O5S — CID 119248241

IUPAC2-[4-[2-(4-propan-2-yloxyphenyl)-1,3-thiazole-4-carbonyl]morpholin-2-yl]acetic acid
SMILESCC(C)Oc1ccc(-c2nc(C(=O)N3CCOC(CC(=O)O)C3)cs2)cc1
InChIInChI=1S/C19H22N2O5S/c1-12(2)26-14-5-3-13(4-6-14)18-20-16(11-27-18)19(24)21-7-8-25-15(10-21)9-17(22)23/h3-6,11-12,15H,7-10H2,1-2H3,(H,22,23)
InChIKeyPAKAHVHUYSZRNP-UHFFFAOYSA-N
MW390.46 g/mol
LogP2.91
Rot. Bonds6

About 2-[4-[2-(4-propan-2-yloxyphenyl)-1,3-thiazole-4-carbonyl]morpholin-2-yl]acetic acid

2-[4-[2-(4-propan-2-yloxyphenyl)-1,3-thiazole-4-carbonyl]morpholin-2-yl]acetic acid (PubChem CID 119248241) has the molecular formula C19H22N2O5S and a molecular weight of 390.46 g/mol. Its IUPAC name is 2-[4-[2-(4-propan-2-yloxyphenyl)-1,3-thiazole-4-carbonyl]morpholin-2-yl]acetic acid.

Molecular Properties

Compound Name2-[4-[2-(4-propan-2-yloxyphenyl)-1,3-thiazole-4-carbonyl]morpholin-2-yl]acetic acid
PubChem CID119248241
Molecular FormulaC19H22N2O5S
Molecular Weight390.46 g/mol
Exact Mass390.12
IUPAC Name2-[4-[2-(4-propan-2-yloxyphenyl)-1,3-thiazole-4-carbonyl]morpholin-2-yl]acetic acid
SMILESCC(C)Oc1ccc(-c2nc(C(=O)N3CCOC(CC(=O)O)C3)cs2)cc1
InChIInChI=1S/C19H22N2O5S/c1-12(2)26-14-5-3-13(4-6-14)18-20-16(11-27-18)19(24)21-7-8-25-15(10-21)9-17(22)23/h3-6,11-12,15H,7-10H2,1-2H3,(H,22,23)
InChIKeyPAKAHVHUYSZRNP-UHFFFAOYSA-N
XLogP2.91
TPSA88.96 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.46
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[4-[2-(2-methoxyphenyl)-1,3-thiazole-4-carbonyl]morpholin-2-yl]acetic acid
CID 126789660
[3-(oxolan-3-yl)azetidin-1-yl]-[2-(4-propan-2-yloxyphenyl)-1,3-thiazol-4-yl]methanone
CID 167991109
[(3R)-3-aminopyrrolidin-1-yl]-[2-(4-propan-2-yloxyphenyl)-1,3-thiazol-4-yl]methanone;hydrochloride
CID 119412347
piperazin-1-yl-[2-(4-propan-2-yloxyphenyl)-1,3-thiazol-4-yl]methanone
CID 119402859
2-[4-(2-pyrazin-2-yl-1,3-thiazole-4-carbonyl)morpholin-2-yl]acetic acid
CID 120527742
2-[4-[2-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]acetyl]morpholin-2-yl]acetic acid
CID 119247502
2-[4-(4-methoxy-2-propan-2-yloxybenzoyl)morpholin-2-yl]acetic acid
CID 120687891
2-[4-(4-methoxypyridine-2-carbonyl)morpholin-2-yl]acetic acid
CID 136536333
[(2R)-2-benzylmorpholin-4-yl]-(2-propan-2-yl-1,3-thiazol-4-yl)methanone
CID 42392462
2-[(2S)-4-(3-propan-2-ylthiophene-2-carbonyl)morpholin-2-yl]acetic acid
CID 124682778
[2-[4-(2-methoxyethoxy)phenyl]-1,3-thiazol-4-yl]-morpholin-4-ylmethanone
CID 46066040
(3S)-1-[2-(4-methoxyphenyl)-1,3-thiazole-4-carbonyl]piperidine-3-carboxylic acid
CID 119112072

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-(4-propan-2-yloxyphenyl)-1,3-thiazole-4-carbonyl]morpholin-2-yl]acetic acid?
The IUPAC name of 2-[4-[2-(4-propan-2-yloxyphenyl)-1,3-thiazole-4-carbonyl]morpholin-2-yl]acetic acid (CID 119248241) is 2-[4-[2-(4-propan-2-yloxyphenyl)-1,3-thiazole-4-carbonyl]morpholin-2-yl]acetic acid.
What is the SMILES notation for 2-[4-[2-(4-propan-2-yloxyphenyl)-1,3-thiazole-4-carbonyl]morpholin-2-yl]acetic acid?
The canonical SMILES for 2-[4-[2-(4-propan-2-yloxyphenyl)-1,3-thiazole-4-carbonyl]morpholin-2-yl]acetic acid is CC(C)Oc1ccc(-c2nc(C(=O)N3CCOC(CC(=O)O)C3)cs2)cc1.
What is the InChIKey of 2-[4-[2-(4-propan-2-yloxyphenyl)-1,3-thiazole-4-carbonyl]morpholin-2-yl]acetic acid?
The InChIKey is PAKAHVHUYSZRNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O5S/c1-12(2)26-14-5-3-13(4-6-14)18-20-16(11-27-18)19(24)21-7-8-25-15(10-21)9-17(22)23/h3-6,11-12,15H,7-10H2,1-2H3,(H,22,23).
What are the key properties of 2-[4-[2-(4-propan-2-yloxyphenyl)-1,3-thiazole-4-carbonyl]morpholin-2-yl]acetic acid?
2-[4-[2-(4-propan-2-yloxyphenyl)-1,3-thiazole-4-carbonyl]morpholin-2-yl]acetic acid has a molecular weight of 390.46 g/mol, XLogP of 2.91, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-(4-propan-2-yloxyphenyl)-1,3-thiazole-4-carbonyl]morpholin-2-yl]acetic acid is sourced from PubChem (CID 119248241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).