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

C17H20N2O3S — CID 120528728

IUPAC2-methyl-2-[4-[(2-propan-2-yl-1,3-thiazole-5-carbonyl)amino]phenyl]propanoic acid
SMILESCC(C)c1ncc(C(=O)Nc2ccc(C(C)(C)C(=O)O)cc2)s1
InChIInChI=1S/C17H20N2O3S/c1-10(2)15-18-9-13(23-15)14(20)19-12-7-5-11(6-8-12)17(3,4)16(21)22/h5-10H,1-4H3,(H,19,20)(H,21,22)
InChIKeyZZTDQDWJHADTQI-UHFFFAOYSA-N
MW332.43 g/mol
LogP3.88
Rot. Bonds5

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

2-methyl-2-[4-[(2-propan-2-yl-1,3-thiazole-5-carbonyl)amino]phenyl]propanoic acid (PubChem CID 120528728) has the molecular formula C17H20N2O3S and a molecular weight of 332.43 g/mol. Its IUPAC name is 2-methyl-2-[4-[(2-propan-2-yl-1,3-thiazole-5-carbonyl)amino]phenyl]propanoic acid.

Molecular Properties

Compound Name2-methyl-2-[4-[(2-propan-2-yl-1,3-thiazole-5-carbonyl)amino]phenyl]propanoic acid
PubChem CID120528728
Molecular FormulaC17H20N2O3S
Molecular Weight332.43 g/mol
Exact Mass332.12
IUPAC Name2-methyl-2-[4-[(2-propan-2-yl-1,3-thiazole-5-carbonyl)amino]phenyl]propanoic acid
SMILESCC(C)c1ncc(C(=O)Nc2ccc(C(C)(C)C(=O)O)cc2)s1
InChIInChI=1S/C17H20N2O3S/c1-10(2)15-18-9-13(23-15)14(20)19-12-7-5-11(6-8-12)17(3,4)16(21)22/h5-10H,1-4H3,(H,19,20)(H,21,22)
InChIKeyZZTDQDWJHADTQI-UHFFFAOYSA-N
XLogP3.88
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.43
LogP ≤ 53.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-2-[4-[(2-propan-2-yl-1,3-thiazole-5-carbonyl)amino]pyrazol-1-yl]propanoic acid
CID 120696278
2-methyl-2-[4-[(5-methylsulfonylthiophene-2-carbonyl)amino]phenyl]propanoic acid
CID 122108024
4-methyl-3-[(2-propan-2-yl-1,3-thiazole-5-carbonyl)amino]benzoic acid
CID 120522326
2-methyl-2-[4-[[2-methyl-4-(2-methylpropyl)-1,3-thiazole-5-carbonyl]amino]phenyl]propanoic acid
CID 120528726
2-methyl-2-[4-(2,3,3-trimethylbutanoylamino)phenyl]propanoic acid
CID 120688065
3-methyl-2-[(2-propan-2-yl-1,3-thiazole-5-carbonyl)amino]butanoic acid
CID 120513288
2-methyl-2-[4-[(2-methyl-1,3-thiazole-4-carbonyl)amino]phenyl]propanoic acid
CID 80549406
2-methyl-2-[4-[(4-methyl-1,3-oxazole-5-carbonyl)amino]phenyl]propanoic acid
CID 81369159
2-methyl-2-[4-(pyridine-3-carbonylamino)phenyl]propanoic acid
CID 75539634
N-(5-carbamoyl-1-methylpyrrol-3-yl)-2-propan-2-yl-1,3-thiazole-5-carboxamide
CID 86780399
2-[(1R)-1-hydroxyethyl]-N-[4-(1,3-thiazol-2-yl)phenyl]-1,3-thiazole-5-carboxamide
CID 124877593
2-[3-[(2-propan-2-yl-1,3-thiazole-5-carbonyl)amino]pyrazol-1-yl]acetic acid
CID 120524695

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[4-[(2-propan-2-yl-1,3-thiazole-5-carbonyl)amino]phenyl]propanoic acid?
The IUPAC name of 2-methyl-2-[4-[(2-propan-2-yl-1,3-thiazole-5-carbonyl)amino]phenyl]propanoic acid (CID 120528728) is 2-methyl-2-[4-[(2-propan-2-yl-1,3-thiazole-5-carbonyl)amino]phenyl]propanoic acid.
What is the SMILES notation for 2-methyl-2-[4-[(2-propan-2-yl-1,3-thiazole-5-carbonyl)amino]phenyl]propanoic acid?
The canonical SMILES for 2-methyl-2-[4-[(2-propan-2-yl-1,3-thiazole-5-carbonyl)amino]phenyl]propanoic acid is CC(C)c1ncc(C(=O)Nc2ccc(C(C)(C)C(=O)O)cc2)s1.
What is the InChIKey of 2-methyl-2-[4-[(2-propan-2-yl-1,3-thiazole-5-carbonyl)amino]phenyl]propanoic acid?
The InChIKey is ZZTDQDWJHADTQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O3S/c1-10(2)15-18-9-13(23-15)14(20)19-12-7-5-11(6-8-12)17(3,4)16(21)22/h5-10H,1-4H3,(H,19,20)(H,21,22).
What are the key properties of 2-methyl-2-[4-[(2-propan-2-yl-1,3-thiazole-5-carbonyl)amino]phenyl]propanoic acid?
2-methyl-2-[4-[(2-propan-2-yl-1,3-thiazole-5-carbonyl)amino]phenyl]propanoic acid has a molecular weight of 332.43 g/mol, XLogP of 3.88, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[4-[(2-propan-2-yl-1,3-thiazole-5-carbonyl)amino]phenyl]propanoic acid is sourced from PubChem (CID 120528728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).