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

C21H16N2O2S — CID 3145376

IUPAC2-[2-(naphthalen-1-ylamino)-4-phenyl-1,3-thiazol-5-yl]acetic acid
SMILESO=C(O)Cc1sc(Nc2cccc3ccccc23)nc1-c1ccccc1
InChIInChI=1S/C21H16N2O2S/c24-19(25)13-18-20(15-8-2-1-3-9-15)23-21(26-18)22-17-12-6-10-14-7-4-5-11-16(14)17/h1-12H,13H2,(H,22,23)(H,24,25)
InChIKeyKBTMAIFMVBSFOH-UHFFFAOYSA-N
MW360.44 g/mol
LogP5.33
Rot. Bonds5

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

2-[2-(naphthalen-1-ylamino)-4-phenyl-1,3-thiazol-5-yl]acetic acid (PubChem CID 3145376) has the molecular formula C21H16N2O2S and a molecular weight of 360.44 g/mol. Its IUPAC name is 2-[2-(naphthalen-1-ylamino)-4-phenyl-1,3-thiazol-5-yl]acetic acid.

Molecular Properties

Compound Name2-[2-(naphthalen-1-ylamino)-4-phenyl-1,3-thiazol-5-yl]acetic acid
PubChem CID3145376
Molecular FormulaC21H16N2O2S
Molecular Weight360.44 g/mol
Exact Mass360.09
IUPAC Name2-[2-(naphthalen-1-ylamino)-4-phenyl-1,3-thiazol-5-yl]acetic acid
SMILESO=C(O)Cc1sc(Nc2cccc3ccccc23)nc1-c1ccccc1
InChIInChI=1S/C21H16N2O2S/c24-19(25)13-18-20(15-8-2-1-3-9-15)23-21(26-18)22-17-12-6-10-14-7-4-5-11-16(14)17/h1-12H,13H2,(H,22,23)(H,24,25)
InChIKeyKBTMAIFMVBSFOH-UHFFFAOYSA-N
XLogP5.33
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.44
LogP ≤ 55.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-(Diphenylamino)-4-(4-fluorophenyl)thiazol-5-yl)acetic acid
CID 16660132
2-(2-((4-Cyanophenyl)(phenyl)amino)-4-(4-fluorophenyl)thiazol-5-yl)acetic acid
CID 16660133
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
[2-Amino-4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-5-yl]acetic acid
CID 16462824
5-Thiazoleacetic acid, 4-(4-chlorophenyl)-2-(phenylamino)-
CID 184853
2-{2-[(2-Chlorophenyl)amino]-4-phenyl-1,3-thiazol-5-YL}acetic acid
CID 770921
(2-Anilino-4-phenyl-1,3-thiazol-5-yl)acetic acid
CID 950344
2-(4-(4-Fluorophenyl)-2-(phenylamino)thiazol-5-yl)acetic acid
CID 1282226
[4-(4-Chloro-phenyl)-2-(naphthalen-1-ylamino)-thiazol-5-yl]-acetic acid
CID 3145374
2-(2-(4-Chlorophenylamino)-4-(4-fluorophenyl)thiazol-5-yl)acetic acid
CID 3145377
3-(N-{4-[2-(naphthylamino)-1,3-thiazol-4-yl]phenyl}carbamoyl)propanoic acid
CID 5007235

Frequently Asked Questions

What is the IUPAC name of 2-[2-(naphthalen-1-ylamino)-4-phenyl-1,3-thiazol-5-yl]acetic acid?
The IUPAC name of 2-[2-(naphthalen-1-ylamino)-4-phenyl-1,3-thiazol-5-yl]acetic acid (CID 3145376) is 2-[2-(naphthalen-1-ylamino)-4-phenyl-1,3-thiazol-5-yl]acetic acid.
What is the SMILES notation for 2-[2-(naphthalen-1-ylamino)-4-phenyl-1,3-thiazol-5-yl]acetic acid?
The canonical SMILES for 2-[2-(naphthalen-1-ylamino)-4-phenyl-1,3-thiazol-5-yl]acetic acid is O=C(O)Cc1sc(Nc2cccc3ccccc23)nc1-c1ccccc1.
What is the InChIKey of 2-[2-(naphthalen-1-ylamino)-4-phenyl-1,3-thiazol-5-yl]acetic acid?
The InChIKey is KBTMAIFMVBSFOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16N2O2S/c24-19(25)13-18-20(15-8-2-1-3-9-15)23-21(26-18)22-17-12-6-10-14-7-4-5-11-16(14)17/h1-12H,13H2,(H,22,23)(H,24,25).
What are the key properties of 2-[2-(naphthalen-1-ylamino)-4-phenyl-1,3-thiazol-5-yl]acetic acid?
2-[2-(naphthalen-1-ylamino)-4-phenyl-1,3-thiazol-5-yl]acetic acid has a molecular weight of 360.44 g/mol, XLogP of 5.33, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(naphthalen-1-ylamino)-4-phenyl-1,3-thiazol-5-yl]acetic acid is sourced from PubChem (CID 3145376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).