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

C17H22N2O2S — CID 177377306

IUPAC2-amino-5-[1-(4-tert-butylphenyl)propan-2-yl]-1,3-thiazole-4-carboxylic acid
SMILESCC(Cc1ccc(C(C)(C)C)cc1)c1sc(N)nc1C(=O)O
InChIInChI=1S/C17H22N2O2S/c1-10(14-13(15(20)21)19-16(18)22-14)9-11-5-7-12(8-6-11)17(2,3)4/h5-8,10H,9H2,1-4H3,(H2,18,19)(H,20,21)
InChIKeyCGIONQOYTNVOFU-UHFFFAOYSA-N
MW318.44 g/mol
LogP4.07
Rot. Bonds4

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

2-amino-5-[1-(4-tert-butylphenyl)propan-2-yl]-1,3-thiazole-4-carboxylic acid (PubChem CID 177377306) has the molecular formula C17H22N2O2S and a molecular weight of 318.44 g/mol. Its IUPAC name is 2-amino-5-[1-(4-tert-butylphenyl)propan-2-yl]-1,3-thiazole-4-carboxylic acid.

Molecular Properties

Compound Name2-amino-5-[1-(4-tert-butylphenyl)propan-2-yl]-1,3-thiazole-4-carboxylic acid
PubChem CID177377306
Molecular FormulaC17H22N2O2S
Molecular Weight318.44 g/mol
Exact Mass318.14
IUPAC Name2-amino-5-[1-(4-tert-butylphenyl)propan-2-yl]-1,3-thiazole-4-carboxylic acid
SMILESCC(Cc1ccc(C(C)(C)C)cc1)c1sc(N)nc1C(=O)O
InChIInChI=1S/C17H22N2O2S/c1-10(14-13(15(20)21)19-16(18)22-14)9-11-5-7-12(8-6-11)17(2,3)4/h5-8,10H,9H2,1-4H3,(H2,18,19)(H,20,21)
InChIKeyCGIONQOYTNVOFU-UHFFFAOYSA-N
XLogP4.07
TPSA76.21 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.44
LogP ≤ 54.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-amino-5-[1-(4-tert-butylphenyl)propan-2-yl]-1,3-thiazole-4-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Methyl 2-amino-5-phenyl-1,3-thiazole-4-carboxylate
CID 664327
2-Amino-5-phenyl-1,3-thiazole-4-carboxylic acid
CID 18322993
2-Azanyl-5-[(4-propan-2-ylphenyl)methyl]-1,3-thiazole-4-carboxylic acid
CID 168719749
Methyl 2-amino-5-benzyl-1,3-thiazole-4-carboxylate
CID 49767430
2-Azanyl-5-(2-phenylethyl)-1,3-thiazole-4-carboxylic acid
CID 165901889
2-Amino-5-(2-naphthalen-1-ylethyl)-1,3-thiazole-4-carboxylic acid
CID 177377299
2-Amino-5-[(4-tert-butylphenyl)methyl]-1,3-thiazole-4-carboxylic acid
CID 177377300
2-Amino-5-[2-(4-tert-butylphenyl)ethyl]-1,3-thiazole-4-carboxylic acid
CID 177377302
2-Amino-5-[2-(4-bromophenyl)ethyl]-1,3-thiazole-4-carboxylic acid
CID 177377303
2-Amino-5-[2-(2,4-dichlorophenyl)ethyl]-1,3-thiazole-4-carboxylic acid
CID 177377304
2-Amino-5-[1-(4-propan-2-ylphenyl)propan-2-yl]-1,3-thiazole-4-carboxylic acid
CID 177377305
2-methyl-5-phenyl-1,3-thiazole-4-carboxylic Acid
CID 943535

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-[1-(4-tert-butylphenyl)propan-2-yl]-1,3-thiazole-4-carboxylic acid?
The IUPAC name of 2-amino-5-[1-(4-tert-butylphenyl)propan-2-yl]-1,3-thiazole-4-carboxylic acid (CID 177377306) is 2-amino-5-[1-(4-tert-butylphenyl)propan-2-yl]-1,3-thiazole-4-carboxylic acid.
What is the SMILES notation for 2-amino-5-[1-(4-tert-butylphenyl)propan-2-yl]-1,3-thiazole-4-carboxylic acid?
The canonical SMILES for 2-amino-5-[1-(4-tert-butylphenyl)propan-2-yl]-1,3-thiazole-4-carboxylic acid is CC(Cc1ccc(C(C)(C)C)cc1)c1sc(N)nc1C(=O)O.
What is the InChIKey of 2-amino-5-[1-(4-tert-butylphenyl)propan-2-yl]-1,3-thiazole-4-carboxylic acid?
The InChIKey is CGIONQOYTNVOFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O2S/c1-10(14-13(15(20)21)19-16(18)22-14)9-11-5-7-12(8-6-11)17(2,3)4/h5-8,10H,9H2,1-4H3,(H2,18,19)(H,20,21).
What are the key properties of 2-amino-5-[1-(4-tert-butylphenyl)propan-2-yl]-1,3-thiazole-4-carboxylic acid?
2-amino-5-[1-(4-tert-butylphenyl)propan-2-yl]-1,3-thiazole-4-carboxylic acid has a molecular weight of 318.44 g/mol, XLogP of 4.07, 4 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-tert-butylphenyl)propan-2-yl]-1,3-thiazole-4-carboxylic acid is sourced from PubChem (CID 177377306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).