3-[[2-(2-tert-butyl-1,3-thiazol-4-yl)acetyl]amino]-2-methyl-2-phenylpropanoic acid

C19H24N2O3S — CID 120701706

IUPAC3-[[2-(2-tert-butyl-1,3-thiazol-4-yl)acetyl]amino]-2-methyl-2-phenylpropanoic acid
SMILESCC(C)(C)c1nc(CC(=O)NCC(C)(C(=O)O)c2ccccc2)cs1
InChIInChI=1S/C19H24N2O3S/c1-18(2,3)16-21-14(11-25-16)10-15(22)20-12-19(4,17(23)24)13-8-6-5-7-9-13/h5-9,11H,10,12H2,1-4H3,(H,20,22)(H,23,24)
InChIKeyOLJHWXXEWABJJF-UHFFFAOYSA-N
MW360.48 g/mol
LogP3.14
Rot. Bonds6

About 3-[[2-(2-tert-butyl-1,3-thiazol-4-yl)acetyl]amino]-2-methyl-2-phenylpropanoic acid

3-[[2-(2-tert-butyl-1,3-thiazol-4-yl)acetyl]amino]-2-methyl-2-phenylpropanoic acid (PubChem CID 120701706) has the molecular formula C19H24N2O3S and a molecular weight of 360.48 g/mol. Its IUPAC name is 3-[[2-(2-tert-butyl-1,3-thiazol-4-yl)acetyl]amino]-2-methyl-2-phenylpropanoic acid.

Molecular Properties

Compound Name3-[[2-(2-tert-butyl-1,3-thiazol-4-yl)acetyl]amino]-2-methyl-2-phenylpropanoic acid
PubChem CID120701706
Molecular FormulaC19H24N2O3S
Molecular Weight360.48 g/mol
Exact Mass360.15
IUPAC Name3-[[2-(2-tert-butyl-1,3-thiazol-4-yl)acetyl]amino]-2-methyl-2-phenylpropanoic acid
SMILESCC(C)(C)c1nc(CC(=O)NCC(C)(C(=O)O)c2ccccc2)cs1
InChIInChI=1S/C19H24N2O3S/c1-18(2,3)16-21-14(11-25-16)10-15(22)20-12-19(4,17(23)24)13-8-6-5-7-9-13/h5-9,11H,10,12H2,1-4H3,(H,20,22)(H,23,24)
InChIKeyOLJHWXXEWABJJF-UHFFFAOYSA-N
XLogP3.14
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 ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[[2-(2-tert-butyl-1,3-thiazol-4-yl)acetyl]amino]propanoic acid
CID 119177607
2-(2-tert-butyl-1,3-thiazol-4-yl)-N-(3-hydroxy-3-phenylpropyl)acetamide
CID 111471780
2-benzyl-3-[[2-(2-tert-butyl-1,3-thiazol-4-yl)acetyl]amino]propanoic acid
CID 119234070
N-(3-aminobutyl)-2-(2-tert-butyl-1,3-thiazol-4-yl)acetamide;dihydrochloride
CID 119499665
2-(2-benzyl-1,3-thiazol-4-yl)-N-[(2R)-2-hydroxy-2-phenylpropyl]acetamide
CID 95769499
5-[[2-(2-tert-butyl-1,3-thiazol-4-yl)acetyl]amino]pentanoic acid
CID 119235347
N-(2-aminophenyl)-2-(2-tert-butyl-1,3-thiazol-4-yl)acetamide;dihydrochloride
CID 119422829
3-[[2-[(4-tert-butylbenzoyl)amino]acetyl]amino]-2-methyl-2-phenylpropanoic acid
CID 120700956
3-[[2-(2-methoxyphenyl)acetyl]amino]-2-methyl-2-phenylpropanoic acid
CID 120700989
2-(2-tert-butyl-1,3-thiazol-4-yl)-N-[(1-hydroxycyclobutyl)methyl]acetamide
CID 111445318
N-(1-amino-2-methylpropan-2-yl)-2-(2-tert-butyl-1,3-thiazol-4-yl)acetamide
CID 119525132
2-(2-tert-butyl-1,3-thiazol-4-yl)-N-[(1-hydroxycyclohexyl)methyl]acetamide
CID 111446010

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(2-tert-butyl-1,3-thiazol-4-yl)acetyl]amino]-2-methyl-2-phenylpropanoic acid?
The IUPAC name of 3-[[2-(2-tert-butyl-1,3-thiazol-4-yl)acetyl]amino]-2-methyl-2-phenylpropanoic acid (CID 120701706) is 3-[[2-(2-tert-butyl-1,3-thiazol-4-yl)acetyl]amino]-2-methyl-2-phenylpropanoic acid.
What is the SMILES notation for 3-[[2-(2-tert-butyl-1,3-thiazol-4-yl)acetyl]amino]-2-methyl-2-phenylpropanoic acid?
The canonical SMILES for 3-[[2-(2-tert-butyl-1,3-thiazol-4-yl)acetyl]amino]-2-methyl-2-phenylpropanoic acid is CC(C)(C)c1nc(CC(=O)NCC(C)(C(=O)O)c2ccccc2)cs1.
What is the InChIKey of 3-[[2-(2-tert-butyl-1,3-thiazol-4-yl)acetyl]amino]-2-methyl-2-phenylpropanoic acid?
The InChIKey is OLJHWXXEWABJJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O3S/c1-18(2,3)16-21-14(11-25-16)10-15(22)20-12-19(4,17(23)24)13-8-6-5-7-9-13/h5-9,11H,10,12H2,1-4H3,(H,20,22)(H,23,24).
What are the key properties of 3-[[2-(2-tert-butyl-1,3-thiazol-4-yl)acetyl]amino]-2-methyl-2-phenylpropanoic acid?
3-[[2-(2-tert-butyl-1,3-thiazol-4-yl)acetyl]amino]-2-methyl-2-phenylpropanoic acid has a molecular weight of 360.48 g/mol, XLogP of 3.14, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(2-tert-butyl-1,3-thiazol-4-yl)acetyl]amino]-2-methyl-2-phenylpropanoic acid is sourced from PubChem (CID 120701706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).