2-methyl-2-[4-[[2-(oxolan-2-yl)-1,3-thiazole-5-carbonyl]amino]pyrazol-1-yl]propanoic acid

C15H18N4O4S — CID 120697118

IUPAC2-methyl-2-[4-[[2-(oxolan-2-yl)-1,3-thiazole-5-carbonyl]amino]pyrazol-1-yl]propanoic acid
SMILESCC(C)(C(=O)O)n1cc(NC(=O)c2cnc(C3CCCO3)s2)cn1
InChIInChI=1S/C15H18N4O4S/c1-15(2,14(21)22)19-8-9(6-17-19)18-12(20)11-7-16-13(24-11)10-4-3-5-23-10/h6-8,10H,3-5H2,1-2H3,(H,18,20)(H,21,22)
InChIKeyLJMKNNZRCKWLME-UHFFFAOYSA-N
MW350.40 g/mol
LogP2.26
Rot. Bonds5

About 2-methyl-2-[4-[[2-(oxolan-2-yl)-1,3-thiazole-5-carbonyl]amino]pyrazol-1-yl]propanoic acid

2-methyl-2-[4-[[2-(oxolan-2-yl)-1,3-thiazole-5-carbonyl]amino]pyrazol-1-yl]propanoic acid (PubChem CID 120697118) has the molecular formula C15H18N4O4S and a molecular weight of 350.40 g/mol. Its IUPAC name is 2-methyl-2-[4-[[2-(oxolan-2-yl)-1,3-thiazole-5-carbonyl]amino]pyrazol-1-yl]propanoic acid.

Molecular Properties

Compound Name2-methyl-2-[4-[[2-(oxolan-2-yl)-1,3-thiazole-5-carbonyl]amino]pyrazol-1-yl]propanoic acid
PubChem CID120697118
Molecular FormulaC15H18N4O4S
Molecular Weight350.40 g/mol
Exact Mass350.10
IUPAC Name2-methyl-2-[4-[[2-(oxolan-2-yl)-1,3-thiazole-5-carbonyl]amino]pyrazol-1-yl]propanoic acid
SMILESCC(C)(C(=O)O)n1cc(NC(=O)c2cnc(C3CCCO3)s2)cn1
InChIInChI=1S/C15H18N4O4S/c1-15(2,14(21)22)19-8-9(6-17-19)18-12(20)11-7-16-13(24-11)10-4-3-5-23-10/h6-8,10H,3-5H2,1-2H3,(H,18,20)(H,21,22)
InChIKeyLJMKNNZRCKWLME-UHFFFAOYSA-N
XLogP2.26
TPSA106.34 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.40
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-methyl-2-[4-[[2-(oxolan-2-yl)-1,3-thiazole-5-carbonyl]amino]pyrazol-1-yl]propanoic acid with MolForge

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Related Compounds

4-[[2-(oxolan-2-yl)-1,3-thiazole-5-carbonyl]amino]benzoic acid
CID 120515303
2-methyl-2-[4-[(2-propan-2-yl-1,3-thiazole-5-carbonyl)amino]pyrazol-1-yl]propanoic acid
CID 120696278
2-[3-[[2-(oxolan-2-yl)-1,3-thiazole-5-carbonyl]amino]phenyl]acetic acid
CID 120530693
2-[[2-(oxolan-2-yl)-1,3-thiazole-5-carbonyl]amino]acetic acid
CID 120513587
2-[2-[[2-(oxolan-2-yl)-1,3-thiazole-5-carbonyl]amino]ethylsulfanyl]acetic acid
CID 120526645
2-[2-[[2-(oxolan-2-yl)-1,3-thiazole-5-carbonyl]amino]phenyl]acetic acid
CID 120522164
2-[[2-(oxolan-2-yl)-1,3-thiazole-5-carbonyl]amino]-2-phenylbutanoic acid
CID 120519095
4-[[2-(oxolan-2-yl)-1,3-thiazole-5-carbonyl]amino]cyclohexane-1-carboxylic acid
CID 120524586
4-[(2-methylpropan-2-yl)oxy]-2-[[2-(oxolan-2-yl)-1,3-thiazole-5-carbonyl]amino]butanoic acid
CID 120533772
2-[4-[(1-cyclohexyl-2,5-dimethylpyrrole-3-carbonyl)amino]pyrazol-1-yl]-2-methylpropanoic acid
CID 120696368
2-[4-[(4-tert-butylbenzoyl)amino]pyrazol-1-yl]-2-methylpropanoic acid
CID 120696583
5-[[[2-(oxolan-2-yl)-1,3-thiazole-5-carbonyl]amino]methyl]thiophene-2-carboxylic acid
CID 122110381

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[4-[[2-(oxolan-2-yl)-1,3-thiazole-5-carbonyl]amino]pyrazol-1-yl]propanoic acid?
The IUPAC name of 2-methyl-2-[4-[[2-(oxolan-2-yl)-1,3-thiazole-5-carbonyl]amino]pyrazol-1-yl]propanoic acid (CID 120697118) is 2-methyl-2-[4-[[2-(oxolan-2-yl)-1,3-thiazole-5-carbonyl]amino]pyrazol-1-yl]propanoic acid.
What is the SMILES notation for 2-methyl-2-[4-[[2-(oxolan-2-yl)-1,3-thiazole-5-carbonyl]amino]pyrazol-1-yl]propanoic acid?
The canonical SMILES for 2-methyl-2-[4-[[2-(oxolan-2-yl)-1,3-thiazole-5-carbonyl]amino]pyrazol-1-yl]propanoic acid is CC(C)(C(=O)O)n1cc(NC(=O)c2cnc(C3CCCO3)s2)cn1.
What is the InChIKey of 2-methyl-2-[4-[[2-(oxolan-2-yl)-1,3-thiazole-5-carbonyl]amino]pyrazol-1-yl]propanoic acid?
The InChIKey is LJMKNNZRCKWLME-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O4S/c1-15(2,14(21)22)19-8-9(6-17-19)18-12(20)11-7-16-13(24-11)10-4-3-5-23-10/h6-8,10H,3-5H2,1-2H3,(H,18,20)(H,21,22).
What are the key properties of 2-methyl-2-[4-[[2-(oxolan-2-yl)-1,3-thiazole-5-carbonyl]amino]pyrazol-1-yl]propanoic acid?
2-methyl-2-[4-[[2-(oxolan-2-yl)-1,3-thiazole-5-carbonyl]amino]pyrazol-1-yl]propanoic acid has a molecular weight of 350.40 g/mol, XLogP of 2.26, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[4-[[2-(oxolan-2-yl)-1,3-thiazole-5-carbonyl]amino]pyrazol-1-yl]propanoic acid is sourced from PubChem (CID 120697118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).