4-[2-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carbonyl]morpholine-3-carboxylic acid

C13H14N4O4S — CID 119216233

IUPAC4-[2-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carbonyl]morpholine-3-carboxylic acid
SMILESCn1cc(-c2nc(C(=O)N3CCOCC3C(=O)O)cs2)cn1
InChIInChI=1S/C13H14N4O4S/c1-16-5-8(4-14-16)11-15-9(7-22-11)12(18)17-2-3-21-6-10(17)13(19)20/h4-5,7,10H,2-3,6H2,1H3,(H,19,20)
InChIKeyMRQHRYPCAPDMOK-UHFFFAOYSA-N
MW322.35 g/mol
LogP0.47
Rot. Bonds3

About 4-[2-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carbonyl]morpholine-3-carboxylic acid

4-[2-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carbonyl]morpholine-3-carboxylic acid (PubChem CID 119216233) has the molecular formula C13H14N4O4S and a molecular weight of 322.35 g/mol. Its IUPAC name is 4-[2-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carbonyl]morpholine-3-carboxylic acid.

Molecular Properties

Compound Name4-[2-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carbonyl]morpholine-3-carboxylic acid
PubChem CID119216233
Molecular FormulaC13H14N4O4S
Molecular Weight322.35 g/mol
Exact Mass322.07
IUPAC Name4-[2-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carbonyl]morpholine-3-carboxylic acid
SMILESCn1cc(-c2nc(C(=O)N3CCOCC3C(=O)O)cs2)cn1
InChIInChI=1S/C13H14N4O4S/c1-16-5-8(4-14-16)11-15-9(7-22-11)12(18)17-2-3-21-6-10(17)13(19)20/h4-5,7,10H,2-3,6H2,1H3,(H,19,20)
InChIKeyMRQHRYPCAPDMOK-UHFFFAOYSA-N
XLogP0.47
TPSA97.55 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.35
LogP ≤ 50.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

4-[2-(1-phenylpyrazol-4-yl)-1,3-thiazole-4-carbonyl]morpholine-3-carboxylic acid
CID 119215956
4-[2-(1,3-benzodioxol-5-yl)-1,3-thiazole-4-carbonyl]morpholine-3-carboxylic acid
CID 119216582
(3S)-4-[2-(4-ethoxyphenyl)-1,3-thiazole-4-carbonyl]morpholine-3-carboxylic acid
CID 125150030
(3S)-4-[2-(2-chlorophenyl)-1,3-thiazole-4-carbonyl]morpholine-3-carboxylic acid
CID 125133089
4-[2-(methoxymethyl)-1,3-thiazole-4-carbonyl]morpholine-3-carboxylic acid
CID 119216541
(3R)-4-[2-(2,4-dichlorophenyl)-1,3-thiazole-4-carbonyl]morpholine-3-carboxylic acid
CID 125119411
(3S)-4-[4-(4-methyl-1,3-thiazol-2-yl)benzoyl]morpholine-3-carboxylic acid
CID 125153602
(2S)-1-[2-(1-phenylpyrazol-4-yl)-1,3-thiazole-4-carbonyl]pyrrolidine-2-carboxylic acid
CID 125149679
2,2-dimethyl-1-[4-[2-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carbonyl]piperazin-1-yl]propan-1-one
CID 55792143
(1-methylpyrazol-3-yl)-[3-(2-phenyl-1,3-thiazol-4-yl)morpholin-4-yl]methanone
CID 131656933
[2-(1-methylpyrazol-4-yl)-1,3-thiazol-4-yl]-[(2R)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]methanone
CID 95603816
(4-benzylpiperidin-1-yl)-[2-(1-methylpyrazol-4-yl)-1,3-thiazol-4-yl]methanone
CID 55787641

Frequently Asked Questions

What is the IUPAC name of 4-[2-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carbonyl]morpholine-3-carboxylic acid?
The IUPAC name of 4-[2-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carbonyl]morpholine-3-carboxylic acid (CID 119216233) is 4-[2-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carbonyl]morpholine-3-carboxylic acid.
What is the SMILES notation for 4-[2-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carbonyl]morpholine-3-carboxylic acid?
The canonical SMILES for 4-[2-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carbonyl]morpholine-3-carboxylic acid is Cn1cc(-c2nc(C(=O)N3CCOCC3C(=O)O)cs2)cn1.
What is the InChIKey of 4-[2-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carbonyl]morpholine-3-carboxylic acid?
The InChIKey is MRQHRYPCAPDMOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4O4S/c1-16-5-8(4-14-16)11-15-9(7-22-11)12(18)17-2-3-21-6-10(17)13(19)20/h4-5,7,10H,2-3,6H2,1H3,(H,19,20).
What are the key properties of 4-[2-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carbonyl]morpholine-3-carboxylic acid?
4-[2-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carbonyl]morpholine-3-carboxylic acid has a molecular weight of 322.35 g/mol, XLogP of 0.47, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carbonyl]morpholine-3-carboxylic acid is sourced from PubChem (CID 119216233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).