2-[4-(4-methyl-2-pyrimidin-2-yl-1,3-thiazole-5-carbonyl)morpholin-2-yl]acetic acid

C15H16N4O4S — CID 119247628

IUPAC2-[4-(4-methyl-2-pyrimidin-2-yl-1,3-thiazole-5-carbonyl)morpholin-2-yl]acetic acid
SMILESCc1nc(-c2ncccn2)sc1C(=O)N1CCOC(CC(=O)O)C1
InChIInChI=1S/C15H16N4O4S/c1-9-12(24-14(18-9)13-16-3-2-4-17-13)15(22)19-5-6-23-10(8-19)7-11(20)21/h2-4,10H,5-8H2,1H3,(H,20,21)
InChIKeyNNRBOFARLXSEBR-UHFFFAOYSA-N
MW348.38 g/mol
LogP1.22
Rot. Bonds4

About 2-[4-(4-methyl-2-pyrimidin-2-yl-1,3-thiazole-5-carbonyl)morpholin-2-yl]acetic acid

2-[4-(4-methyl-2-pyrimidin-2-yl-1,3-thiazole-5-carbonyl)morpholin-2-yl]acetic acid (PubChem CID 119247628) has the molecular formula C15H16N4O4S and a molecular weight of 348.38 g/mol. Its IUPAC name is 2-[4-(4-methyl-2-pyrimidin-2-yl-1,3-thiazole-5-carbonyl)morpholin-2-yl]acetic acid.

Molecular Properties

Compound Name2-[4-(4-methyl-2-pyrimidin-2-yl-1,3-thiazole-5-carbonyl)morpholin-2-yl]acetic acid
PubChem CID119247628
Molecular FormulaC15H16N4O4S
Molecular Weight348.38 g/mol
Exact Mass348.09
IUPAC Name2-[4-(4-methyl-2-pyrimidin-2-yl-1,3-thiazole-5-carbonyl)morpholin-2-yl]acetic acid
SMILESCc1nc(-c2ncccn2)sc1C(=O)N1CCOC(CC(=O)O)C1
InChIInChI=1S/C15H16N4O4S/c1-9-12(24-14(18-9)13-16-3-2-4-17-13)15(22)19-5-6-23-10(8-19)7-11(20)21/h2-4,10H,5-8H2,1H3,(H,20,21)
InChIKeyNNRBOFARLXSEBR-UHFFFAOYSA-N
XLogP1.22
TPSA105.51 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.38
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-[(2S)-4-(2,4-dimethyl-1,3-thiazole-5-carbonyl)morpholin-2-yl]acetic acid
CID 124515375
2-[1-(4-methyl-2-pyrimidin-2-yl-1,3-thiazole-5-carbonyl)piperidin-4-yl]acetic acid
CID 119177890
2-[4-(4-methylthiadiazole-5-carbonyl)morpholin-2-yl]acetic acid
CID 66420176
(2,4-dimethyl-1,3-thiazol-5-yl)-[2-(hydroxymethyl)morpholin-4-yl]methanone
CID 81208761
2-[(2S)-4-(3-methyl-1-benzothiophene-2-carbonyl)morpholin-2-yl]acetic acid
CID 124697788
2-[4-(2,5-dimethyl-1,3-thiazole-4-carbonyl)morpholin-2-yl]acetic acid
CID 120527656
2-[4-(3-hydroxypyridine-2-carbonyl)morpholin-2-yl]acetic acid
CID 66421765
2-[(2S)-4-(3-methyl-1,2-thiazole-4-carbonyl)morpholin-2-yl]acetic acid
CID 129401273
(2R)-4-(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)morpholine-2-carboxylic acid
CID 129415214
2-[4-(3,4-dimethylbenzoyl)morpholin-2-yl]acetic acid
CID 66433602
2-[4-(2-methylquinoline-8-carbonyl)morpholin-2-yl]acetic acid
CID 120527700
2-[4-(1-ethylpyrazole-4-carbonyl)morpholin-2-yl]acetic acid
CID 119248465

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-methyl-2-pyrimidin-2-yl-1,3-thiazole-5-carbonyl)morpholin-2-yl]acetic acid?
The IUPAC name of 2-[4-(4-methyl-2-pyrimidin-2-yl-1,3-thiazole-5-carbonyl)morpholin-2-yl]acetic acid (CID 119247628) is 2-[4-(4-methyl-2-pyrimidin-2-yl-1,3-thiazole-5-carbonyl)morpholin-2-yl]acetic acid.
What is the SMILES notation for 2-[4-(4-methyl-2-pyrimidin-2-yl-1,3-thiazole-5-carbonyl)morpholin-2-yl]acetic acid?
The canonical SMILES for 2-[4-(4-methyl-2-pyrimidin-2-yl-1,3-thiazole-5-carbonyl)morpholin-2-yl]acetic acid is Cc1nc(-c2ncccn2)sc1C(=O)N1CCOC(CC(=O)O)C1.
What is the InChIKey of 2-[4-(4-methyl-2-pyrimidin-2-yl-1,3-thiazole-5-carbonyl)morpholin-2-yl]acetic acid?
The InChIKey is NNRBOFARLXSEBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O4S/c1-9-12(24-14(18-9)13-16-3-2-4-17-13)15(22)19-5-6-23-10(8-19)7-11(20)21/h2-4,10H,5-8H2,1H3,(H,20,21).
What are the key properties of 2-[4-(4-methyl-2-pyrimidin-2-yl-1,3-thiazole-5-carbonyl)morpholin-2-yl]acetic acid?
2-[4-(4-methyl-2-pyrimidin-2-yl-1,3-thiazole-5-carbonyl)morpholin-2-yl]acetic acid has a molecular weight of 348.38 g/mol, XLogP of 1.22, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-methyl-2-pyrimidin-2-yl-1,3-thiazole-5-carbonyl)morpholin-2-yl]acetic acid is sourced from PubChem (CID 119247628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).