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

C13H15N3O2S — CID 113297957

IUPAC2-[2-[3-(dimethylamino)anilino]-1,3-thiazol-4-yl]acetic acid
SMILESCN(C)c1cccc(Nc2nc(CC(=O)O)cs2)c1
InChIInChI=1S/C13H15N3O2S/c1-16(2)11-5-3-4-9(6-11)14-13-15-10(8-19-13)7-12(17)18/h3-6,8H,7H2,1-2H3,(H,14,15)(H,17,18)
InChIKeyPBMXNZYUANDQCD-UHFFFAOYSA-N
MW277.35 g/mol
LogP2.58
Rot. Bonds5

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

2-[2-[3-(dimethylamino)anilino]-1,3-thiazol-4-yl]acetic acid (PubChem CID 113297957) has the molecular formula C13H15N3O2S and a molecular weight of 277.35 g/mol. Its IUPAC name is 2-[2-[3-(dimethylamino)anilino]-1,3-thiazol-4-yl]acetic acid.

Molecular Properties

Compound Name2-[2-[3-(dimethylamino)anilino]-1,3-thiazol-4-yl]acetic acid
PubChem CID113297957
Molecular FormulaC13H15N3O2S
Molecular Weight277.35 g/mol
Exact Mass277.09
IUPAC Name2-[2-[3-(dimethylamino)anilino]-1,3-thiazol-4-yl]acetic acid
SMILESCN(C)c1cccc(Nc2nc(CC(=O)O)cs2)c1
InChIInChI=1S/C13H15N3O2S/c1-16(2)11-5-3-4-9(6-11)14-13-15-10(8-19-13)7-12(17)18/h3-6,8H,7H2,1-2H3,(H,14,15)(H,17,18)
InChIKeyPBMXNZYUANDQCD-UHFFFAOYSA-N
XLogP2.58
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.35
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-(quinolin-6-ylamino)-1,3-thiazol-4-yl]acetic acid
CID 80576847
2-[2-(4-phenylanilino)-1,3-thiazol-4-yl]acetic acid
CID 58795522
2-[2-(4-fluoroanilino)-1,3-thiazol-4-yl]acetic acid
CID 1133217
2-[2-(2,2-dimethylhydrazinyl)-1,3-thiazol-4-yl]acetic acid
CID 83023966
2-[2-[3-(N-methylanilino)propylamino]-1,3-thiazol-4-yl]acetic acid
CID 80573782
ethyl 2-[2-(3-carbamoylanilino)-1,3-thiazol-4-yl]acetate
CID 107810524
N-methyl-2-[2-[3-(trifluoromethyl)anilino]-1,3-thiazol-4-yl]acetamide
CID 30859922
2-[2-[(2-methyl-3-pyridinyl)amino]-1,3-thiazol-4-yl]acetic acid
CID 80576595
2-[2-[2-(3-methylphenyl)ethylamino]-1,3-thiazol-4-yl]acetic acid
CID 80576799
2-[2-(naphthalen-2-ylamino)-1,3-thiazol-4-yl]acetamide
CID 170510503
2-[2-(3-chloroanilino)-1,3-thiazol-4-yl]-N-(3,5-dimethylphenyl)acetamide
CID 30942110
2-[2-(2,5-dichloroanilino)-1,3-thiazol-4-yl]acetic acid
CID 75176643

Frequently Asked Questions

What is the IUPAC name of 2-[2-[3-(dimethylamino)anilino]-1,3-thiazol-4-yl]acetic acid?
The IUPAC name of 2-[2-[3-(dimethylamino)anilino]-1,3-thiazol-4-yl]acetic acid (CID 113297957) is 2-[2-[3-(dimethylamino)anilino]-1,3-thiazol-4-yl]acetic acid.
What is the SMILES notation for 2-[2-[3-(dimethylamino)anilino]-1,3-thiazol-4-yl]acetic acid?
The canonical SMILES for 2-[2-[3-(dimethylamino)anilino]-1,3-thiazol-4-yl]acetic acid is CN(C)c1cccc(Nc2nc(CC(=O)O)cs2)c1.
What is the InChIKey of 2-[2-[3-(dimethylamino)anilino]-1,3-thiazol-4-yl]acetic acid?
The InChIKey is PBMXNZYUANDQCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O2S/c1-16(2)11-5-3-4-9(6-11)14-13-15-10(8-19-13)7-12(17)18/h3-6,8H,7H2,1-2H3,(H,14,15)(H,17,18).
What are the key properties of 2-[2-[3-(dimethylamino)anilino]-1,3-thiazol-4-yl]acetic acid?
2-[2-[3-(dimethylamino)anilino]-1,3-thiazol-4-yl]acetic acid has a molecular weight of 277.35 g/mol, XLogP of 2.58, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[3-(dimethylamino)anilino]-1,3-thiazol-4-yl]acetic acid is sourced from PubChem (CID 113297957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).