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

C14H16N2O2S — CID 168719749

IUPAC2-amino-5-[(4-propan-2-ylphenyl)methyl]-1,3-thiazole-4-carboxylic acid
SMILESCC(C)c1ccc(Cc2sc(N)nc2C(=O)O)cc1
InChIInChI=1S/C14H16N2O2S/c1-8(2)10-5-3-9(4-6-10)7-11-12(13(17)18)16-14(15)19-11/h3-6,8H,7H2,1-2H3,(H2,15,16)(H,17,18)
InChIKeyXQXGOTVAWGPLTC-UHFFFAOYSA-N
MW276.36 g/mol
LogP3.14
Rot. Bonds4

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

2-amino-5-[(4-propan-2-ylphenyl)methyl]-1,3-thiazole-4-carboxylic acid (PubChem CID 168719749) has the molecular formula C14H16N2O2S and a molecular weight of 276.36 g/mol. Its IUPAC name is 2-amino-5-[(4-propan-2-ylphenyl)methyl]-1,3-thiazole-4-carboxylic acid.

Molecular Properties

Compound Name2-amino-5-[(4-propan-2-ylphenyl)methyl]-1,3-thiazole-4-carboxylic acid
PubChem CID168719749
Molecular FormulaC14H16N2O2S
Molecular Weight276.36 g/mol
Exact Mass276.09
IUPAC Name2-amino-5-[(4-propan-2-ylphenyl)methyl]-1,3-thiazole-4-carboxylic acid
SMILESCC(C)c1ccc(Cc2sc(N)nc2C(=O)O)cc1
InChIInChI=1S/C14H16N2O2S/c1-8(2)10-5-3-9(4-6-10)7-11-12(13(17)18)16-14(15)19-11/h3-6,8H,7H2,1-2H3,(H2,15,16)(H,17,18)
InChIKeyXQXGOTVAWGPLTC-UHFFFAOYSA-N
XLogP3.14
TPSA76.21 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.36
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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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
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-Amino-5-[1-(4-tert-butylphenyl)propan-2-yl]-1,3-thiazole-4-carboxylic acid
CID 177377306
2-methyl-5-phenyl-1,3-thiazole-4-carboxylic Acid
CID 943535

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-[(4-propan-2-ylphenyl)methyl]-1,3-thiazole-4-carboxylic acid?
The IUPAC name of 2-amino-5-[(4-propan-2-ylphenyl)methyl]-1,3-thiazole-4-carboxylic acid (CID 168719749) is 2-amino-5-[(4-propan-2-ylphenyl)methyl]-1,3-thiazole-4-carboxylic acid.
What is the SMILES notation for 2-amino-5-[(4-propan-2-ylphenyl)methyl]-1,3-thiazole-4-carboxylic acid?
The canonical SMILES for 2-amino-5-[(4-propan-2-ylphenyl)methyl]-1,3-thiazole-4-carboxylic acid is CC(C)c1ccc(Cc2sc(N)nc2C(=O)O)cc1.
What is the InChIKey of 2-amino-5-[(4-propan-2-ylphenyl)methyl]-1,3-thiazole-4-carboxylic acid?
The InChIKey is XQXGOTVAWGPLTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2S/c1-8(2)10-5-3-9(4-6-10)7-11-12(13(17)18)16-14(15)19-11/h3-6,8H,7H2,1-2H3,(H2,15,16)(H,17,18).
What are the key properties of 2-amino-5-[(4-propan-2-ylphenyl)methyl]-1,3-thiazole-4-carboxylic acid?
2-amino-5-[(4-propan-2-ylphenyl)methyl]-1,3-thiazole-4-carboxylic acid has a molecular weight of 276.36 g/mol, XLogP of 3.14, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-[(4-propan-2-ylphenyl)methyl]-1,3-thiazole-4-carboxylic acid is sourced from PubChem (CID 168719749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).