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

C14H15FN2O2S — CID 115424374

IUPAC2-[1-(4-fluorophenyl)propan-2-ylamino]-5-methyl-1,3-thiazole-4-carboxylic acid
SMILESCc1sc(NC(C)Cc2ccc(F)cc2)nc1C(=O)O
InChIInChI=1S/C14H15FN2O2S/c1-8(7-10-3-5-11(15)6-4-10)16-14-17-12(13(18)19)9(2)20-14/h3-6,8H,7H2,1-2H3,(H,16,17)(H,18,19)
InChIKeyRGQPJZCIGSJFDN-UHFFFAOYSA-N
MW294.35 g/mol
LogP3.33
Rot. Bonds5

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

2-[1-(4-fluorophenyl)propan-2-ylamino]-5-methyl-1,3-thiazole-4-carboxylic acid (PubChem CID 115424374) 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]-5-methyl-1,3-thiazole-4-carboxylic acid.

Molecular Properties

Compound Name2-[1-(4-fluorophenyl)propan-2-ylamino]-5-methyl-1,3-thiazole-4-carboxylic acid
PubChem CID115424374
Molecular FormulaC14H15FN2O2S
Molecular Weight294.35 g/mol
Exact Mass294.08
IUPAC Name2-[1-(4-fluorophenyl)propan-2-ylamino]-5-methyl-1,3-thiazole-4-carboxylic acid
SMILESCc1sc(NC(C)Cc2ccc(F)cc2)nc1C(=O)O
InChIInChI=1S/C14H15FN2O2S/c1-8(7-10-3-5-11(15)6-4-10)16-14-17-12(13(18)19)9(2)20-14/h3-6,8H,7H2,1-2H3,(H,16,17)(H,18,19)
InChIKeyRGQPJZCIGSJFDN-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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Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-fluorophenyl)propan-2-ylamino]-5-methyl-1,3-thiazole-4-carboxylic acid?
The IUPAC name of 2-[1-(4-fluorophenyl)propan-2-ylamino]-5-methyl-1,3-thiazole-4-carboxylic acid (CID 115424374) is 2-[1-(4-fluorophenyl)propan-2-ylamino]-5-methyl-1,3-thiazole-4-carboxylic acid.
What is the SMILES notation for 2-[1-(4-fluorophenyl)propan-2-ylamino]-5-methyl-1,3-thiazole-4-carboxylic acid?
The canonical SMILES for 2-[1-(4-fluorophenyl)propan-2-ylamino]-5-methyl-1,3-thiazole-4-carboxylic acid is Cc1sc(NC(C)Cc2ccc(F)cc2)nc1C(=O)O.
What is the InChIKey of 2-[1-(4-fluorophenyl)propan-2-ylamino]-5-methyl-1,3-thiazole-4-carboxylic acid?
The InChIKey is RGQPJZCIGSJFDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN2O2S/c1-8(7-10-3-5-11(15)6-4-10)16-14-17-12(13(18)19)9(2)20-14/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]-5-methyl-1,3-thiazole-4-carboxylic acid?
2-[1-(4-fluorophenyl)propan-2-ylamino]-5-methyl-1,3-thiazole-4-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]-5-methyl-1,3-thiazole-4-carboxylic acid is sourced from PubChem (CID 115424374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).