2-[2-(4-propan-2-ylanilino)-1,3-thiazol-4-yl]acetic acid

C14H16N2O2S — CID 7066096

IUPAC2-[2-(4-propan-2-ylanilino)-1,3-thiazol-4-yl]acetic acid
SMILESCC(C)c1ccc(Nc2nc(CC(=O)O)cs2)cc1
InChIInChI=1S/C14H16N2O2S/c1-9(2)10-3-5-11(6-4-10)15-14-16-12(8-19-14)7-13(17)18/h3-6,8-9H,7H2,1-2H3,(H,15,16)(H,17,18)
InChIKeyPWSBPTSBOVJGGN-UHFFFAOYSA-N
MW276.36 g/mol
LogP3.64
Rot. Bonds5

About 2-[2-(4-propan-2-ylanilino)-1,3-thiazol-4-yl]acetic acid

2-[2-(4-propan-2-ylanilino)-1,3-thiazol-4-yl]acetic acid (PubChem CID 7066096) has the molecular formula C14H16N2O2S and a molecular weight of 276.36 g/mol. Its IUPAC name is 2-[2-(4-propan-2-ylanilino)-1,3-thiazol-4-yl]acetic acid.

Molecular Properties

Compound Name2-[2-(4-propan-2-ylanilino)-1,3-thiazol-4-yl]acetic acid
PubChem CID7066096
Molecular FormulaC14H16N2O2S
Molecular Weight276.36 g/mol
Exact Mass276.09
IUPAC Name2-[2-(4-propan-2-ylanilino)-1,3-thiazol-4-yl]acetic acid
SMILESCC(C)c1ccc(Nc2nc(CC(=O)O)cs2)cc1
InChIInChI=1S/C14H16N2O2S/c1-9(2)10-3-5-11(6-4-10)15-14-16-12(8-19-14)7-13(17)18/h3-6,8-9H,7H2,1-2H3,(H,15,16)(H,17,18)
InChIKeyPWSBPTSBOVJGGN-UHFFFAOYSA-N
XLogP3.64
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.36
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(Ethoxycarbonyl)-4-{2-[(4-methylphenyl)amino]-1,3-thiazol-4-yl}hexanoic acid
CID 3100701
Ethyl 2-{2-[(anilinocarbonyl)amino]-1,3-thiazol-4-yl}acetate
CID 728643
Ethyl 2-{2-[(4-toluidinocarbonyl)amino]-1,3-thiazol-4-yl}acetate
CID 736634
[2-(4-Butyl-phenylamino)-thiazol-4-yl]-acetic acid
CID 3611794
N-[4-[2-[4-(diaminomethylideneamino)phenyl]ethyl]-1,3-thiazol-2-yl]-2-methylpropanamide
CID 21914735
N-[4-[2-[4-[(N'-ethylcarbamimidoyl)amino]phenyl]ethyl]-1,3-thiazol-2-yl]acetamide
CID 21915171
N-(4-tert-butylphenyl)-4-methyl-1,3-thiazol-2-amine
CID 58624281
2-[2-[[4-[[2-(3-Methylbutyl)anilino]methyl]benzoyl]amino]-1,3-thiazol-4-yl]acetic acid
CID 145488943
Methyl 2-[2-(benzylamino)-1,3-thiazol-4-yl]acetate
CID 2418839
Methyl 2-(2-anilino-5-methyl-1,3-thiazol-4-yl)acetate
CID 2741217
(Z)-2-methoxymino-2-(2-(tritylamino)thiazol-4-yl)acetic acid
CID 5928144
DF2755A
CID 45110932

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-propan-2-ylanilino)-1,3-thiazol-4-yl]acetic acid?
The IUPAC name of 2-[2-(4-propan-2-ylanilino)-1,3-thiazol-4-yl]acetic acid (CID 7066096) is 2-[2-(4-propan-2-ylanilino)-1,3-thiazol-4-yl]acetic acid.
What is the SMILES notation for 2-[2-(4-propan-2-ylanilino)-1,3-thiazol-4-yl]acetic acid?
The canonical SMILES for 2-[2-(4-propan-2-ylanilino)-1,3-thiazol-4-yl]acetic acid is CC(C)c1ccc(Nc2nc(CC(=O)O)cs2)cc1.
What is the InChIKey of 2-[2-(4-propan-2-ylanilino)-1,3-thiazol-4-yl]acetic acid?
The InChIKey is PWSBPTSBOVJGGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2S/c1-9(2)10-3-5-11(6-4-10)15-14-16-12(8-19-14)7-13(17)18/h3-6,8-9H,7H2,1-2H3,(H,15,16)(H,17,18).
What are the key properties of 2-[2-(4-propan-2-ylanilino)-1,3-thiazol-4-yl]acetic acid?
2-[2-(4-propan-2-ylanilino)-1,3-thiazol-4-yl]acetic acid has a molecular weight of 276.36 g/mol, XLogP of 3.64, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-propan-2-ylanilino)-1,3-thiazol-4-yl]acetic acid is sourced from PubChem (CID 7066096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).