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

C18H16N4O4S — CID 119215956

IUPAC4-[2-(1-phenylpyrazol-4-yl)-1,3-thiazole-4-carbonyl]morpholine-3-carboxylic acid
SMILESO=C(O)C1COCCN1C(=O)c1csc(-c2cnn(-c3ccccc3)c2)n1
InChIInChI=1S/C18H16N4O4S/c23-17(21-6-7-26-10-15(21)18(24)25)14-11-27-16(20-14)12-8-19-22(9-12)13-4-2-1-3-5-13/h1-5,8-9,11,15H,6-7,10H2,(H,24,25)
InChIKeyKJZOHUYDIGNKMF-UHFFFAOYSA-N
MW384.42 g/mol
LogP1.92
Rot. Bonds4

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

4-[2-(1-phenylpyrazol-4-yl)-1,3-thiazole-4-carbonyl]morpholine-3-carboxylic acid (PubChem CID 119215956) has the molecular formula C18H16N4O4S and a molecular weight of 384.42 g/mol. Its IUPAC name is 4-[2-(1-phenylpyrazol-4-yl)-1,3-thiazole-4-carbonyl]morpholine-3-carboxylic acid.

Molecular Properties

Compound Name4-[2-(1-phenylpyrazol-4-yl)-1,3-thiazole-4-carbonyl]morpholine-3-carboxylic acid
PubChem CID119215956
Molecular FormulaC18H16N4O4S
Molecular Weight384.42 g/mol
Exact Mass384.09
IUPAC Name4-[2-(1-phenylpyrazol-4-yl)-1,3-thiazole-4-carbonyl]morpholine-3-carboxylic acid
SMILESO=C(O)C1COCCN1C(=O)c1csc(-c2cnn(-c3ccccc3)c2)n1
InChIInChI=1S/C18H16N4O4S/c23-17(21-6-7-26-10-15(21)18(24)25)14-11-27-16(20-14)12-8-19-22(9-12)13-4-2-1-3-5-13/h1-5,8-9,11,15H,6-7,10H2,(H,24,25)
InChIKeyKJZOHUYDIGNKMF-UHFFFAOYSA-N
XLogP1.92
TPSA97.55 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.42
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

(2S)-1-[2-(1-phenylpyrazol-4-yl)-1,3-thiazole-4-carbonyl]pyrrolidine-2-carboxylic acid
CID 125149679
4-[2-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carbonyl]morpholine-3-carboxylic acid
CID 119216233
(3S)-4-[2-(2-chlorophenyl)-1,3-thiazole-4-carbonyl]morpholine-3-carboxylic acid
CID 125133089
4-[2-(1,3-benzodioxol-5-yl)-1,3-thiazole-4-carbonyl]morpholine-3-carboxylic acid
CID 119216582
6-methyl-1-[2-(1-phenylpyrazol-4-yl)-1,3-thiazole-4-carbonyl]piperidine-3-carboxylic acid
CID 122113740
(3S)-4-[2-(4-ethoxyphenyl)-1,3-thiazole-4-carbonyl]morpholine-3-carboxylic acid
CID 125150030
(3R)-4-[2-(2,4-dichlorophenyl)-1,3-thiazole-4-carbonyl]morpholine-3-carboxylic acid
CID 125119411
[3-(dimethylamino)pyrrolidin-1-yl]-[2-(1-phenylpyrazol-4-yl)-1,3-thiazol-4-yl]methanone
CID 168858565
N-methyl-N-(oxan-4-yl)-2-(1-phenylpyrazol-4-yl)-1,3-thiazole-4-carboxamide
CID 168858509
[3-(aminomethyl)pyrrolidin-1-yl]-[2-(1-phenylpyrazol-4-yl)-1,3-thiazol-4-yl]methanone
CID 119486756
[4-[methyl(propan-2-yl)amino]piperidin-1-yl]-[2-(1-phenylpyrazol-4-yl)-1,3-thiazol-4-yl]methanone
CID 168858604
[3-(methylaminomethyl)pyrrolidin-1-yl]-[2-(1-phenylpyrazol-4-yl)-1,3-thiazol-4-yl]methanone
CID 119541911

Frequently Asked Questions

What is the IUPAC name of 4-[2-(1-phenylpyrazol-4-yl)-1,3-thiazole-4-carbonyl]morpholine-3-carboxylic acid?
The IUPAC name of 4-[2-(1-phenylpyrazol-4-yl)-1,3-thiazole-4-carbonyl]morpholine-3-carboxylic acid (CID 119215956) is 4-[2-(1-phenylpyrazol-4-yl)-1,3-thiazole-4-carbonyl]morpholine-3-carboxylic acid.
What is the SMILES notation for 4-[2-(1-phenylpyrazol-4-yl)-1,3-thiazole-4-carbonyl]morpholine-3-carboxylic acid?
The canonical SMILES for 4-[2-(1-phenylpyrazol-4-yl)-1,3-thiazole-4-carbonyl]morpholine-3-carboxylic acid is O=C(O)C1COCCN1C(=O)c1csc(-c2cnn(-c3ccccc3)c2)n1.
What is the InChIKey of 4-[2-(1-phenylpyrazol-4-yl)-1,3-thiazole-4-carbonyl]morpholine-3-carboxylic acid?
The InChIKey is KJZOHUYDIGNKMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N4O4S/c23-17(21-6-7-26-10-15(21)18(24)25)14-11-27-16(20-14)12-8-19-22(9-12)13-4-2-1-3-5-13/h1-5,8-9,11,15H,6-7,10H2,(H,24,25).
What are the key properties of 4-[2-(1-phenylpyrazol-4-yl)-1,3-thiazole-4-carbonyl]morpholine-3-carboxylic acid?
4-[2-(1-phenylpyrazol-4-yl)-1,3-thiazole-4-carbonyl]morpholine-3-carboxylic acid has a molecular weight of 384.42 g/mol, XLogP of 1.92, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(1-phenylpyrazol-4-yl)-1,3-thiazole-4-carbonyl]morpholine-3-carboxylic acid is sourced from PubChem (CID 119215956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).