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

C19H24N2O3S — CID 120528726

IUPAC2-methyl-2-[4-[[2-methyl-4-(2-methylpropyl)-1,3-thiazole-5-carbonyl]amino]phenyl]propanoic acid
SMILESCc1nc(CC(C)C)c(C(=O)Nc2ccc(C(C)(C)C(=O)O)cc2)s1
InChIInChI=1S/C19H24N2O3S/c1-11(2)10-15-16(25-12(3)20-15)17(22)21-14-8-6-13(7-9-14)19(4,5)18(23)24/h6-9,11H,10H2,1-5H3,(H,21,22)(H,23,24)
InChIKeyKVHCPCOHRAJAKD-UHFFFAOYSA-N
MW360.48 g/mol
LogP4.26
Rot. Bonds6

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

2-methyl-2-[4-[[2-methyl-4-(2-methylpropyl)-1,3-thiazole-5-carbonyl]amino]phenyl]propanoic acid (PubChem CID 120528726) has the molecular formula C19H24N2O3S and a molecular weight of 360.48 g/mol. Its IUPAC name is 2-methyl-2-[4-[[2-methyl-4-(2-methylpropyl)-1,3-thiazole-5-carbonyl]amino]phenyl]propanoic acid.

Molecular Properties

Compound Name2-methyl-2-[4-[[2-methyl-4-(2-methylpropyl)-1,3-thiazole-5-carbonyl]amino]phenyl]propanoic acid
PubChem CID120528726
Molecular FormulaC19H24N2O3S
Molecular Weight360.48 g/mol
Exact Mass360.15
IUPAC Name2-methyl-2-[4-[[2-methyl-4-(2-methylpropyl)-1,3-thiazole-5-carbonyl]amino]phenyl]propanoic acid
SMILESCc1nc(CC(C)C)c(C(=O)Nc2ccc(C(C)(C)C(=O)O)cc2)s1
InChIInChI=1S/C19H24N2O3S/c1-11(2)10-15-16(25-12(3)20-15)17(22)21-14-8-6-13(7-9-14)19(4,5)18(23)24/h6-9,11H,10H2,1-5H3,(H,21,22)(H,23,24)
InChIKeyKVHCPCOHRAJAKD-UHFFFAOYSA-N
XLogP4.26
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.48
LogP ≤ 54.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

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Related Compounds

2-methyl-2-[4-[[2-methyl-4-(2-methylpropyl)-1,3-thiazole-5-carbonyl]amino]pyrazol-1-yl]propanoic acid
CID 120696748
N-(6-amino-3-pyridinyl)-2-methyl-4-(2-methylpropyl)-1,3-thiazole-5-carboxamide;dihydrochloride
CID 119516597
N-(2-amino-2-methylpropyl)-2-methyl-4-(2-methylpropyl)-1,3-thiazole-5-carboxamide
CID 119630789
2-methyl-2-[4-[(2-methyl-1,3-thiazole-4-carbonyl)amino]phenyl]propanoic acid
CID 80549406
2-methyl-2-[4-[(2-propan-2-yl-1,3-thiazole-5-carbonyl)amino]phenyl]propanoic acid
CID 120528728
2-methyl-2-[4-(2-methylpropylcarbamoylamino)phenyl]propanoic acid
CID 80555855
2-methyl-2-[4-[(4-methyl-1,3-oxazole-5-carbonyl)amino]phenyl]propanoic acid
CID 81369159
3-[2-[[2-methyl-4-(2-methylpropyl)-1,3-thiazole-5-carbonyl]amino]ethyl]benzoic acid
CID 120535501
N-(2-amino-2-ethylbutyl)-2-methyl-4-(2-methylpropyl)-1,3-thiazole-5-carboxamide;dihydrochloride
CID 119644030
2-methyl-2-[4-[(3-methylfuran-2-carbonyl)amino]phenyl]propanoic acid
CID 80549404
2-[4-[[(2R)-2-amino-4-methylpentanoyl]amino]phenyl]-2-methylpropanoic acid
CID 104903758
2-methyl-2-[4-[(2-methylbenzoyl)amino]phenyl]propanoic acid
CID 84587288

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[4-[[2-methyl-4-(2-methylpropyl)-1,3-thiazole-5-carbonyl]amino]phenyl]propanoic acid?
The IUPAC name of 2-methyl-2-[4-[[2-methyl-4-(2-methylpropyl)-1,3-thiazole-5-carbonyl]amino]phenyl]propanoic acid (CID 120528726) is 2-methyl-2-[4-[[2-methyl-4-(2-methylpropyl)-1,3-thiazole-5-carbonyl]amino]phenyl]propanoic acid.
What is the SMILES notation for 2-methyl-2-[4-[[2-methyl-4-(2-methylpropyl)-1,3-thiazole-5-carbonyl]amino]phenyl]propanoic acid?
The canonical SMILES for 2-methyl-2-[4-[[2-methyl-4-(2-methylpropyl)-1,3-thiazole-5-carbonyl]amino]phenyl]propanoic acid is Cc1nc(CC(C)C)c(C(=O)Nc2ccc(C(C)(C)C(=O)O)cc2)s1.
What is the InChIKey of 2-methyl-2-[4-[[2-methyl-4-(2-methylpropyl)-1,3-thiazole-5-carbonyl]amino]phenyl]propanoic acid?
The InChIKey is KVHCPCOHRAJAKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O3S/c1-11(2)10-15-16(25-12(3)20-15)17(22)21-14-8-6-13(7-9-14)19(4,5)18(23)24/h6-9,11H,10H2,1-5H3,(H,21,22)(H,23,24).
What are the key properties of 2-methyl-2-[4-[[2-methyl-4-(2-methylpropyl)-1,3-thiazole-5-carbonyl]amino]phenyl]propanoic acid?
2-methyl-2-[4-[[2-methyl-4-(2-methylpropyl)-1,3-thiazole-5-carbonyl]amino]phenyl]propanoic acid has a molecular weight of 360.48 g/mol, XLogP of 4.26, 6 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-methyl-4-(2-methylpropyl)-1,3-thiazole-5-carbonyl]amino]phenyl]propanoic acid is sourced from PubChem (CID 120528726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).