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

C14H16N2O2S — CID 155911361

IUPAC2-[3-[2-(dimethylamino)-4-methyl-1,3-thiazol-5-yl]phenyl]acetic acid
SMILESCc1nc(N(C)C)sc1-c1cccc(CC(=O)O)c1
InChIInChI=1S/C14H16N2O2S/c1-9-13(19-14(15-9)16(2)3)11-6-4-5-10(7-11)8-12(17)18/h4-7H,8H2,1-3H3,(H,17,18)
InChIKeyMCWNCMIDVWZOEO-UHFFFAOYSA-N
MW276.36 g/mol
LogP2.81
Rot. Bonds4

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

2-[3-[2-(dimethylamino)-4-methyl-1,3-thiazol-5-yl]phenyl]acetic acid (PubChem CID 155911361) has the molecular formula C14H16N2O2S and a molecular weight of 276.36 g/mol. Its IUPAC name is 2-[3-[2-(dimethylamino)-4-methyl-1,3-thiazol-5-yl]phenyl]acetic acid.

Molecular Properties

Compound Name2-[3-[2-(dimethylamino)-4-methyl-1,3-thiazol-5-yl]phenyl]acetic acid
PubChem CID155911361
Molecular FormulaC14H16N2O2S
Molecular Weight276.36 g/mol
Exact Mass276.09
IUPAC Name2-[3-[2-(dimethylamino)-4-methyl-1,3-thiazol-5-yl]phenyl]acetic acid
SMILESCc1nc(N(C)C)sc1-c1cccc(CC(=O)O)c1
InChIInChI=1S/C14H16N2O2S/c1-9-13(19-14(15-9)16(2)3)11-6-4-5-10(7-11)8-12(17)18/h4-7H,8H2,1-3H3,(H,17,18)
InChIKeyMCWNCMIDVWZOEO-UHFFFAOYSA-N
XLogP2.81
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.36
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(dimethylamino)-1,3-benzothiazol-5-yl]acetic acid
CID 83897148
2-[3-(3-methyl-1,2,4-thiadiazol-5-yl)phenyl]acetic acid
CID 130250837
2-[2-(dimethylamino)-4-methyl-1,3-thiazol-5-yl]acetic acid
CID 79019725
2-[3-[6-(dimethylamino)pyrazin-2-yl]phenyl]acetic acid
CID 155912044
2-(dimethylamino)-5-phenyl-1,3-thiazole-4-carboxylic acid
CID 66865715
4-[2-(dimethylamino)-4-methyl-1,3-thiazol-5-yl]benzene-1,2-diamine
CID 20564387
2-[3-[3-(hydroxymethyl)phenyl]phenyl]acetic acid
CID 1392506
2-[3-[2-[3-(carboxymethyl)phenyl]phenyl]phenyl]acetic acid
CID 118456825
2-[3-[(dimethylamino)methyl]phenyl]-4-methyl-1,3-thiazole-5-carboxylic acid
CID 39161045
2-[3-(2-methylquinolin-4-yl)phenyl]acetic acid
CID 155909496
2-[3-(4-ethylphenyl)phenyl]acetic acid
CID 1393629
2-[3-(1,2-thiazol-3-yl)phenyl]acetic acid
CID 130731432

Frequently Asked Questions

What is the IUPAC name of 2-[3-[2-(dimethylamino)-4-methyl-1,3-thiazol-5-yl]phenyl]acetic acid?
The IUPAC name of 2-[3-[2-(dimethylamino)-4-methyl-1,3-thiazol-5-yl]phenyl]acetic acid (CID 155911361) is 2-[3-[2-(dimethylamino)-4-methyl-1,3-thiazol-5-yl]phenyl]acetic acid.
What is the SMILES notation for 2-[3-[2-(dimethylamino)-4-methyl-1,3-thiazol-5-yl]phenyl]acetic acid?
The canonical SMILES for 2-[3-[2-(dimethylamino)-4-methyl-1,3-thiazol-5-yl]phenyl]acetic acid is Cc1nc(N(C)C)sc1-c1cccc(CC(=O)O)c1.
What is the InChIKey of 2-[3-[2-(dimethylamino)-4-methyl-1,3-thiazol-5-yl]phenyl]acetic acid?
The InChIKey is MCWNCMIDVWZOEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2S/c1-9-13(19-14(15-9)16(2)3)11-6-4-5-10(7-11)8-12(17)18/h4-7H,8H2,1-3H3,(H,17,18).
What are the key properties of 2-[3-[2-(dimethylamino)-4-methyl-1,3-thiazol-5-yl]phenyl]acetic acid?
2-[3-[2-(dimethylamino)-4-methyl-1,3-thiazol-5-yl]phenyl]acetic acid has a molecular weight of 276.36 g/mol, XLogP of 2.81, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[2-(dimethylamino)-4-methyl-1,3-thiazol-5-yl]phenyl]acetic acid is sourced from PubChem (CID 155911361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).