2-[2-(dimethylamino)-4-phenyl-1,3-thiazol-5-yl]acetic acid

C13H14N2O2S — CID 9111004

IUPAC2-[2-(dimethylamino)-4-phenyl-1,3-thiazol-5-yl]acetic acid
SMILESCN(C)c1nc(-c2ccccc2)c(CC(=O)O)s1
InChIInChI=1S/C13H14N2O2S/c1-15(2)13-14-12(9-6-4-3-5-7-9)10(18-13)8-11(16)17/h3-7H,8H2,1-2H3,(H,16,17)
InChIKeyRKPUITFATWOKIT-UHFFFAOYSA-N
MW262.33 g/mol
LogP2.50
Rot. Bonds4

About 2-[2-(dimethylamino)-4-phenyl-1,3-thiazol-5-yl]acetic acid

2-[2-(dimethylamino)-4-phenyl-1,3-thiazol-5-yl]acetic acid (PubChem CID 9111004) has the molecular formula C13H14N2O2S and a molecular weight of 262.33 g/mol. Its IUPAC name is 2-[2-(dimethylamino)-4-phenyl-1,3-thiazol-5-yl]acetic acid.

Molecular Properties

Compound Name2-[2-(dimethylamino)-4-phenyl-1,3-thiazol-5-yl]acetic acid
PubChem CID9111004
Molecular FormulaC13H14N2O2S
Molecular Weight262.33 g/mol
Exact Mass262.08
IUPAC Name2-[2-(dimethylamino)-4-phenyl-1,3-thiazol-5-yl]acetic acid
SMILESCN(C)c1nc(-c2ccccc2)c(CC(=O)O)s1
InChIInChI=1S/C13H14N2O2S/c1-15(2)13-14-12(9-6-4-3-5-7-9)10(18-13)8-11(16)17/h3-7H,8H2,1-2H3,(H,16,17)
InChIKeyRKPUITFATWOKIT-UHFFFAOYSA-N
XLogP2.50
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.33
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2,4-Diphenyl-1,3-thiazol-5-yl)acetic acid
CID 2763923
2-(2-(Diphenylamino)-4-(4-fluorophenyl)thiazol-5-yl)acetic acid
CID 16660132
2-(2-(Bis(4-fluorophenyl)amino)-4-(4-fluorophenyl)thiazol-5-yl)acetic acid
CID 16660288
2-(2-(Diphenylamino)-4-(3-fluorophenyl)thiazol-5-yl)acetic acid
CID 16660289
5-Thiazoleacetic acid, 2-methyl-4-phenyl-
CID 214800
Thiazole-5-acetic acid, 2-benzylamino-4-(p-chlorophenyl)-
CID 3054243
2-(2-Amino-4-phenyl-1,3-thiazol-5-yl)acetic acid
CID 291865
[2-Amino-4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-5-yl]acetic acid
CID 16462824
2-Amino-4-(4-chlorophenyl)thiazole-5-acetic acid
CID 198256
(2-Methyl-4-p-tolyl-thiazol-5-yl)-acetic acid
CID 2231549
2-(4-Phenyl-1,3-thiazol-5-yl)acetic acid
CID 28948458
(2-Anilino-4-phenyl-1,3-thiazol-5-yl)acetic acid
CID 950344

Frequently Asked Questions

What is the IUPAC name of 2-[2-(dimethylamino)-4-phenyl-1,3-thiazol-5-yl]acetic acid?
The IUPAC name of 2-[2-(dimethylamino)-4-phenyl-1,3-thiazol-5-yl]acetic acid (CID 9111004) is 2-[2-(dimethylamino)-4-phenyl-1,3-thiazol-5-yl]acetic acid.
What is the SMILES notation for 2-[2-(dimethylamino)-4-phenyl-1,3-thiazol-5-yl]acetic acid?
The canonical SMILES for 2-[2-(dimethylamino)-4-phenyl-1,3-thiazol-5-yl]acetic acid is CN(C)c1nc(-c2ccccc2)c(CC(=O)O)s1.
What is the InChIKey of 2-[2-(dimethylamino)-4-phenyl-1,3-thiazol-5-yl]acetic acid?
The InChIKey is RKPUITFATWOKIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O2S/c1-15(2)13-14-12(9-6-4-3-5-7-9)10(18-13)8-11(16)17/h3-7H,8H2,1-2H3,(H,16,17).
What are the key properties of 2-[2-(dimethylamino)-4-phenyl-1,3-thiazol-5-yl]acetic acid?
2-[2-(dimethylamino)-4-phenyl-1,3-thiazol-5-yl]acetic acid has a molecular weight of 262.33 g/mol, XLogP of 2.50, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(dimethylamino)-4-phenyl-1,3-thiazol-5-yl]acetic acid is sourced from PubChem (CID 9111004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).