2-amino-5-[1-(4-propan-2-ylphenyl)propan-2-yl]-1,3-thiazole-4-carboxylic acid

C16H20N2O2S — CID 177377305

IUPAC2-amino-5-[1-(4-propan-2-ylphenyl)propan-2-yl]-1,3-thiazole-4-carboxylic acid
SMILESCC(C)c1ccc(CC(C)c2sc(N)nc2C(=O)O)cc1
InChIInChI=1S/C16H20N2O2S/c1-9(2)12-6-4-11(5-7-12)8-10(3)14-13(15(19)20)18-16(17)21-14/h4-7,9-10H,8H2,1-3H3,(H2,17,18)(H,19,20)
InChIKeyFNKMDTXRMVZUEY-UHFFFAOYSA-N
MW304.42 g/mol
LogP3.89
Rot. Bonds5

About 2-amino-5-[1-(4-propan-2-ylphenyl)propan-2-yl]-1,3-thiazole-4-carboxylic acid

2-amino-5-[1-(4-propan-2-ylphenyl)propan-2-yl]-1,3-thiazole-4-carboxylic acid (PubChem CID 177377305) has the molecular formula C16H20N2O2S and a molecular weight of 304.42 g/mol. Its IUPAC name is 2-amino-5-[1-(4-propan-2-ylphenyl)propan-2-yl]-1,3-thiazole-4-carboxylic acid.

Molecular Properties

Compound Name2-amino-5-[1-(4-propan-2-ylphenyl)propan-2-yl]-1,3-thiazole-4-carboxylic acid
PubChem CID177377305
Molecular FormulaC16H20N2O2S
Molecular Weight304.42 g/mol
Exact Mass304.12
IUPAC Name2-amino-5-[1-(4-propan-2-ylphenyl)propan-2-yl]-1,3-thiazole-4-carboxylic acid
SMILESCC(C)c1ccc(CC(C)c2sc(N)nc2C(=O)O)cc1
InChIInChI=1S/C16H20N2O2S/c1-9(2)12-6-4-11(5-7-12)8-10(3)14-13(15(19)20)18-16(17)21-14/h4-7,9-10H,8H2,1-3H3,(H2,17,18)(H,19,20)
InChIKeyFNKMDTXRMVZUEY-UHFFFAOYSA-N
XLogP3.89
TPSA76.21 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.42
LogP ≤ 53.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-5-[1-(4-propan-2-ylphenyl)propan-2-yl]-1,3-thiazole-4-carboxylic acid?
The IUPAC name of 2-amino-5-[1-(4-propan-2-ylphenyl)propan-2-yl]-1,3-thiazole-4-carboxylic acid (CID 177377305) is 2-amino-5-[1-(4-propan-2-ylphenyl)propan-2-yl]-1,3-thiazole-4-carboxylic acid.
What is the SMILES notation for 2-amino-5-[1-(4-propan-2-ylphenyl)propan-2-yl]-1,3-thiazole-4-carboxylic acid?
The canonical SMILES for 2-amino-5-[1-(4-propan-2-ylphenyl)propan-2-yl]-1,3-thiazole-4-carboxylic acid is CC(C)c1ccc(CC(C)c2sc(N)nc2C(=O)O)cc1.
What is the InChIKey of 2-amino-5-[1-(4-propan-2-ylphenyl)propan-2-yl]-1,3-thiazole-4-carboxylic acid?
The InChIKey is FNKMDTXRMVZUEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2S/c1-9(2)12-6-4-11(5-7-12)8-10(3)14-13(15(19)20)18-16(17)21-14/h4-7,9-10H,8H2,1-3H3,(H2,17,18)(H,19,20).
What are the key properties of 2-amino-5-[1-(4-propan-2-ylphenyl)propan-2-yl]-1,3-thiazole-4-carboxylic acid?
2-amino-5-[1-(4-propan-2-ylphenyl)propan-2-yl]-1,3-thiazole-4-carboxylic acid has a molecular weight of 304.42 g/mol, XLogP of 3.89, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-[1-(4-propan-2-ylphenyl)propan-2-yl]-1,3-thiazole-4-carboxylic acid is sourced from PubChem (CID 177377305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).