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

C15H18N2O2S — CID 177377300

IUPAC2-amino-5-[(4-tert-butylphenyl)methyl]-1,3-thiazole-4-carboxylic acid
SMILESCC(C)(C)c1ccc(Cc2sc(N)nc2C(=O)O)cc1
InChIInChI=1S/C15H18N2O2S/c1-15(2,3)10-6-4-9(5-7-10)8-11-12(13(18)19)17-14(16)20-11/h4-7H,8H2,1-3H3,(H2,16,17)(H,18,19)
InChIKeyAYYRKHOAVHMIBU-UHFFFAOYSA-N
MW290.39 g/mol
LogP3.31
Rot. Bonds3

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

2-amino-5-[(4-tert-butylphenyl)methyl]-1,3-thiazole-4-carboxylic acid (PubChem CID 177377300) has the molecular formula C15H18N2O2S and a molecular weight of 290.39 g/mol. Its IUPAC name is 2-amino-5-[(4-tert-butylphenyl)methyl]-1,3-thiazole-4-carboxylic acid.

Molecular Properties

Compound Name2-amino-5-[(4-tert-butylphenyl)methyl]-1,3-thiazole-4-carboxylic acid
PubChem CID177377300
Molecular FormulaC15H18N2O2S
Molecular Weight290.39 g/mol
Exact Mass290.11
IUPAC Name2-amino-5-[(4-tert-butylphenyl)methyl]-1,3-thiazole-4-carboxylic acid
SMILESCC(C)(C)c1ccc(Cc2sc(N)nc2C(=O)O)cc1
InChIInChI=1S/C15H18N2O2S/c1-15(2,3)10-6-4-9(5-7-10)8-11-12(13(18)19)17-14(16)20-11/h4-7H,8H2,1-3H3,(H2,16,17)(H,18,19)
InChIKeyAYYRKHOAVHMIBU-UHFFFAOYSA-N
XLogP3.31
TPSA76.21 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.39
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-5-[(4-tert-butylphenyl)methyl]-1,3-thiazole-4-carboxylic acid?
The IUPAC name of 2-amino-5-[(4-tert-butylphenyl)methyl]-1,3-thiazole-4-carboxylic acid (CID 177377300) is 2-amino-5-[(4-tert-butylphenyl)methyl]-1,3-thiazole-4-carboxylic acid.
What is the SMILES notation for 2-amino-5-[(4-tert-butylphenyl)methyl]-1,3-thiazole-4-carboxylic acid?
The canonical SMILES for 2-amino-5-[(4-tert-butylphenyl)methyl]-1,3-thiazole-4-carboxylic acid is CC(C)(C)c1ccc(Cc2sc(N)nc2C(=O)O)cc1.
What is the InChIKey of 2-amino-5-[(4-tert-butylphenyl)methyl]-1,3-thiazole-4-carboxylic acid?
The InChIKey is AYYRKHOAVHMIBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2S/c1-15(2,3)10-6-4-9(5-7-10)8-11-12(13(18)19)17-14(16)20-11/h4-7H,8H2,1-3H3,(H2,16,17)(H,18,19).
What are the key properties of 2-amino-5-[(4-tert-butylphenyl)methyl]-1,3-thiazole-4-carboxylic acid?
2-amino-5-[(4-tert-butylphenyl)methyl]-1,3-thiazole-4-carboxylic acid has a molecular weight of 290.39 g/mol, XLogP of 3.31, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-[(4-tert-butylphenyl)methyl]-1,3-thiazole-4-carboxylic acid is sourced from PubChem (CID 177377300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).