2-[1-(4-fluorophenyl)propan-2-ylamino]-4-methyl-1,3-thiazole-5-carboxylic acid

C14H15FN2O2S — CID 80570034

IUPAC2-[1-(4-fluorophenyl)propan-2-ylamino]-4-methyl-1,3-thiazole-5-carboxylic acid
SMILESCc1nc(NC(C)Cc2ccc(F)cc2)sc1C(=O)O
InChIInChI=1S/C14H15FN2O2S/c1-8(7-10-3-5-11(15)6-4-10)16-14-17-9(2)12(20-14)13(18)19/h3-6,8H,7H2,1-2H3,(H,16,17)(H,18,19)
InChIKeyOBDAEJHLLAYWIH-UHFFFAOYSA-N
MW294.35 g/mol
LogP3.33
Rot. Bonds5

About 2-[1-(4-fluorophenyl)propan-2-ylamino]-4-methyl-1,3-thiazole-5-carboxylic acid

2-[1-(4-fluorophenyl)propan-2-ylamino]-4-methyl-1,3-thiazole-5-carboxylic acid (PubChem CID 80570034) has the molecular formula C14H15FN2O2S and a molecular weight of 294.35 g/mol. Its IUPAC name is 2-[1-(4-fluorophenyl)propan-2-ylamino]-4-methyl-1,3-thiazole-5-carboxylic acid.

Molecular Properties

Compound Name2-[1-(4-fluorophenyl)propan-2-ylamino]-4-methyl-1,3-thiazole-5-carboxylic acid
PubChem CID80570034
Molecular FormulaC14H15FN2O2S
Molecular Weight294.35 g/mol
Exact Mass294.08
IUPAC Name2-[1-(4-fluorophenyl)propan-2-ylamino]-4-methyl-1,3-thiazole-5-carboxylic acid
SMILESCc1nc(NC(C)Cc2ccc(F)cc2)sc1C(=O)O
InChIInChI=1S/C14H15FN2O2S/c1-8(7-10-3-5-11(15)6-4-10)16-14-17-9(2)12(20-14)13(18)19/h3-6,8H,7H2,1-2H3,(H,16,17)(H,18,19)
InChIKeyOBDAEJHLLAYWIH-UHFFFAOYSA-N
XLogP3.33
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1-(4-fluorophenyl)propan-2-ylamino]-5-methyl-1,3-thiazole-4-carboxylic acid
CID 115424374
2-(hexan-2-ylamino)-4-methyl-1,3-thiazole-5-carboxylic acid
CID 80570104
2-(1-cyclopropylpropan-2-ylamino)-4-methyl-1,3-thiazole-5-carboxylic acid
CID 80570132
2-[1-(4-fluorophenyl)propan-2-ylamino]-6-methylpyrimidine-4-carboxylic acid
CID 107553885
5-[1-(4-fluorophenyl)propan-2-ylamino]furan-2-carboxylic acid
CID 63008488
4-methyl-2-[4-(2-methylpropyl)phenyl]-1,3-thiazole-5-carboxylic acid
CID 79018828
methyl 2-[2-[1-(4-fluorophenyl)propan-2-ylamino]-1,3-thiazol-4-yl]acetate
CID 80574724
4-methyl-2-[(2-methyl-1-thiophen-2-ylpropyl)amino]-1,3-thiazole-5-carboxylic acid
CID 80569880
2-[1-(furan-2-yl)ethylamino]-4-methyl-1,3-thiazole-5-carboxylic acid
CID 80570272
2-[(1-amino-3-methyl-1-oxobutan-2-yl)amino]-4-methyl-1,3-thiazole-5-carboxylic acid
CID 106347379
2-fluoro-4-[1-(4-fluorophenyl)propan-2-ylamino]benzoic acid
CID 115485422
4-[1-(4-fluorophenyl)propan-2-ylamino]pyridine-2-carboxylic acid
CID 63009703

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-fluorophenyl)propan-2-ylamino]-4-methyl-1,3-thiazole-5-carboxylic acid?
The IUPAC name of 2-[1-(4-fluorophenyl)propan-2-ylamino]-4-methyl-1,3-thiazole-5-carboxylic acid (CID 80570034) is 2-[1-(4-fluorophenyl)propan-2-ylamino]-4-methyl-1,3-thiazole-5-carboxylic acid.
What is the SMILES notation for 2-[1-(4-fluorophenyl)propan-2-ylamino]-4-methyl-1,3-thiazole-5-carboxylic acid?
The canonical SMILES for 2-[1-(4-fluorophenyl)propan-2-ylamino]-4-methyl-1,3-thiazole-5-carboxylic acid is Cc1nc(NC(C)Cc2ccc(F)cc2)sc1C(=O)O.
What is the InChIKey of 2-[1-(4-fluorophenyl)propan-2-ylamino]-4-methyl-1,3-thiazole-5-carboxylic acid?
The InChIKey is OBDAEJHLLAYWIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN2O2S/c1-8(7-10-3-5-11(15)6-4-10)16-14-17-9(2)12(20-14)13(18)19/h3-6,8H,7H2,1-2H3,(H,16,17)(H,18,19).
What are the key properties of 2-[1-(4-fluorophenyl)propan-2-ylamino]-4-methyl-1,3-thiazole-5-carboxylic acid?
2-[1-(4-fluorophenyl)propan-2-ylamino]-4-methyl-1,3-thiazole-5-carboxylic acid has a molecular weight of 294.35 g/mol, XLogP of 3.33, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-fluorophenyl)propan-2-ylamino]-4-methyl-1,3-thiazole-5-carboxylic acid is sourced from PubChem (CID 80570034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).