2-(dimethylamino)-5-phenyl-1,3-thiazole-4-carboxylic acid

C12H12N2O2S — CID 66865715

IUPAC2-(dimethylamino)-5-phenyl-1,3-thiazole-4-carboxylic acid
SMILESCN(C)c1nc(C(=O)O)c(-c2ccccc2)s1
InChIInChI=1S/C12H12N2O2S/c1-14(2)12-13-9(11(15)16)10(17-12)8-6-4-3-5-7-8/h3-7H,1-2H3,(H,15,16)
InChIKeyPCKNMQJLLATEAO-UHFFFAOYSA-N
MW248.31 g/mol
LogP2.57
Rot. Bonds3

About 2-(dimethylamino)-5-phenyl-1,3-thiazole-4-carboxylic acid

2-(dimethylamino)-5-phenyl-1,3-thiazole-4-carboxylic acid (PubChem CID 66865715) has the molecular formula C12H12N2O2S and a molecular weight of 248.31 g/mol. Its IUPAC name is 2-(dimethylamino)-5-phenyl-1,3-thiazole-4-carboxylic acid.

Molecular Properties

Compound Name2-(dimethylamino)-5-phenyl-1,3-thiazole-4-carboxylic acid
PubChem CID66865715
Molecular FormulaC12H12N2O2S
Molecular Weight248.31 g/mol
Exact Mass248.06
IUPAC Name2-(dimethylamino)-5-phenyl-1,3-thiazole-4-carboxylic acid
SMILESCN(C)c1nc(C(=O)O)c(-c2ccccc2)s1
InChIInChI=1S/C12H12N2O2S/c1-14(2)12-13-9(11(15)16)10(17-12)8-6-4-3-5-7-8/h3-7H,1-2H3,(H,15,16)
InChIKeyPCKNMQJLLATEAO-UHFFFAOYSA-N
XLogP2.57
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.31
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(dimethylamino)ethyl]-5-phenyl-1,3-thiazole-4-carboxylic acid
CID 115345538
2-carbamoyl-5-phenyl-1,3-thiazole-4-carboxylic acid
CID 59291531
5-phenyl-2-propyl-1,3-thiazole-4-carboxylic acid
CID 64716441
methyl 2-(dimethylamino)-5-(4-fluorophenyl)-1,3-thiazole-4-carboxylate
CID 67262561
[(1S,2S,5R)-2-(aminomethyl)-3-azabicyclo[3.1.0]hexan-3-yl]-[2-(dimethylamino)-5-phenyl-1,3-thiazol-4-yl]methanone
CID 68632676
2-(1-methoxyethyl)-5-phenyl-1,3-thiazole-4-carboxylic acid
CID 79615913
2-[3-[2-(dimethylamino)-4-methyl-1,3-thiazol-5-yl]phenyl]acetic acid
CID 155911361
3-[2-(dimethylamino)-4-phenyl-1,3-thiazol-5-yl]-4-hydroxycyclobut-3-ene-1,2-dione
CID 101102796
2-(2-chlorophenyl)-5-phenyl-1,3-thiazole-4-carboxylic acid
CID 64715180
2-(5-chlorothiophen-2-yl)-5-phenyl-1,3-thiazole-4-carboxylic acid
CID 64715806
2-[2-(2-methoxyethoxy)ethyl]-5-phenyl-1,3-thiazole-4-carboxylic acid
CID 102927109
2-(1,5-dimethylpyrazol-4-yl)-5-phenyl-1,3-thiazole-4-carboxylic acid
CID 79570865

Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-5-phenyl-1,3-thiazole-4-carboxylic acid?
The IUPAC name of 2-(dimethylamino)-5-phenyl-1,3-thiazole-4-carboxylic acid (CID 66865715) is 2-(dimethylamino)-5-phenyl-1,3-thiazole-4-carboxylic acid.
What is the SMILES notation for 2-(dimethylamino)-5-phenyl-1,3-thiazole-4-carboxylic acid?
The canonical SMILES for 2-(dimethylamino)-5-phenyl-1,3-thiazole-4-carboxylic acid is CN(C)c1nc(C(=O)O)c(-c2ccccc2)s1.
What is the InChIKey of 2-(dimethylamino)-5-phenyl-1,3-thiazole-4-carboxylic acid?
The InChIKey is PCKNMQJLLATEAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O2S/c1-14(2)12-13-9(11(15)16)10(17-12)8-6-4-3-5-7-8/h3-7H,1-2H3,(H,15,16).
What are the key properties of 2-(dimethylamino)-5-phenyl-1,3-thiazole-4-carboxylic acid?
2-(dimethylamino)-5-phenyl-1,3-thiazole-4-carboxylic acid has a molecular weight of 248.31 g/mol, XLogP of 2.57, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-5-phenyl-1,3-thiazole-4-carboxylic acid is sourced from PubChem (CID 66865715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).