2-[2-(4-tert-butylanilino)-1,3-thiazol-4-yl]acetic acid

C15H18N2O2S — CID 80575484

IUPAC2-[2-(4-tert-butylanilino)-1,3-thiazol-4-yl]acetic acid
SMILESCC(C)(C)c1ccc(Nc2nc(CC(=O)O)cs2)cc1
InChIInChI=1S/C15H18N2O2S/c1-15(2,3)10-4-6-11(7-5-10)16-14-17-12(9-20-14)8-13(18)19/h4-7,9H,8H2,1-3H3,(H,16,17)(H,18,19)
InChIKeyFTLYHVFQMGZVFA-UHFFFAOYSA-N
MW290.39 g/mol
LogP3.81
Rot. Bonds4

About 2-[2-(4-tert-butylanilino)-1,3-thiazol-4-yl]acetic acid

2-[2-(4-tert-butylanilino)-1,3-thiazol-4-yl]acetic acid (PubChem CID 80575484) has the molecular formula C15H18N2O2S and a molecular weight of 290.39 g/mol. Its IUPAC name is 2-[2-(4-tert-butylanilino)-1,3-thiazol-4-yl]acetic acid.

Molecular Properties

Compound Name2-[2-(4-tert-butylanilino)-1,3-thiazol-4-yl]acetic acid
PubChem CID80575484
Molecular FormulaC15H18N2O2S
Molecular Weight290.39 g/mol
Exact Mass290.11
IUPAC Name2-[2-(4-tert-butylanilino)-1,3-thiazol-4-yl]acetic acid
SMILESCC(C)(C)c1ccc(Nc2nc(CC(=O)O)cs2)cc1
InChIInChI=1S/C15H18N2O2S/c1-15(2,3)10-4-6-11(7-5-10)16-14-17-12(9-20-14)8-13(18)19/h4-7,9H,8H2,1-3H3,(H,16,17)(H,18,19)
InChIKeyFTLYHVFQMGZVFA-UHFFFAOYSA-N
XLogP3.81
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.39
LogP ≤ 53.81
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-[(4-toluidinocarbonyl)amino]-1,3-thiazol-4-yl}acetate
CID 736634
[2-(4-Butyl-phenylamino)-thiazol-4-yl]-acetic acid
CID 3611794
2-[(4-Isopropylphenylamino)thiazol-4-yl]acetic acid
CID 7066096
N-(4-tert-butylphenyl)-4-methyl-1,3-thiazol-2-amine
CID 58624281
Methyl 2-[2-(benzylamino)-1,3-thiazol-4-yl]acetate
CID 2418839
(Z)-2-methoxymino-2-(2-(tritylamino)thiazol-4-yl)acetic acid
CID 5928144
DF2755A
CID 45110932
[2-(4-Fluoro-phenylamino)-thiazol-4-yl]-acetic acid
CID 1133217
Methyl 2-[2-(phenylamino)-1,3-thiazol-4-yl]acetate
CID 1528685
4-(Ethoxycarbonyl)-4-[2-(phenylamino)-1,3-thiazol-4-yl]octanoic acid
CID 3145193
4-methyl-N-(4-propan-2-ylphenyl)-1,3-thiazol-2-amine
CID 137639552

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-tert-butylanilino)-1,3-thiazol-4-yl]acetic acid?
The IUPAC name of 2-[2-(4-tert-butylanilino)-1,3-thiazol-4-yl]acetic acid (CID 80575484) is 2-[2-(4-tert-butylanilino)-1,3-thiazol-4-yl]acetic acid.
What is the SMILES notation for 2-[2-(4-tert-butylanilino)-1,3-thiazol-4-yl]acetic acid?
The canonical SMILES for 2-[2-(4-tert-butylanilino)-1,3-thiazol-4-yl]acetic acid is CC(C)(C)c1ccc(Nc2nc(CC(=O)O)cs2)cc1.
What is the InChIKey of 2-[2-(4-tert-butylanilino)-1,3-thiazol-4-yl]acetic acid?
The InChIKey is FTLYHVFQMGZVFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2S/c1-15(2,3)10-4-6-11(7-5-10)16-14-17-12(9-20-14)8-13(18)19/h4-7,9H,8H2,1-3H3,(H,16,17)(H,18,19).
What are the key properties of 2-[2-(4-tert-butylanilino)-1,3-thiazol-4-yl]acetic acid?
2-[2-(4-tert-butylanilino)-1,3-thiazol-4-yl]acetic acid has a molecular weight of 290.39 g/mol, XLogP of 3.81, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-tert-butylanilino)-1,3-thiazol-4-yl]acetic acid is sourced from PubChem (CID 80575484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).