5-methyl-2-[methyl(2-phenylethyl)amino]-1,3-thiazole-4-carboxylic acid

C14H16N2O2S — CID 115424607

IUPAC5-methyl-2-[methyl(2-phenylethyl)amino]-1,3-thiazole-4-carboxylic acid
SMILESCc1sc(N(C)CCc2ccccc2)nc1C(=O)O
InChIInChI=1S/C14H16N2O2S/c1-10-12(13(17)18)15-14(19-10)16(2)9-8-11-6-4-3-5-7-11/h3-7H,8-9H2,1-2H3,(H,17,18)
InChIKeyIOBYCHHTJTXISS-UHFFFAOYSA-N
MW276.36 g/mol
LogP2.83
Rot. Bonds5

About 5-methyl-2-[methyl(2-phenylethyl)amino]-1,3-thiazole-4-carboxylic acid

5-methyl-2-[methyl(2-phenylethyl)amino]-1,3-thiazole-4-carboxylic acid (PubChem CID 115424607) has the molecular formula C14H16N2O2S and a molecular weight of 276.36 g/mol. Its IUPAC name is 5-methyl-2-[methyl(2-phenylethyl)amino]-1,3-thiazole-4-carboxylic acid.

Molecular Properties

Compound Name5-methyl-2-[methyl(2-phenylethyl)amino]-1,3-thiazole-4-carboxylic acid
PubChem CID115424607
Molecular FormulaC14H16N2O2S
Molecular Weight276.36 g/mol
Exact Mass276.09
IUPAC Name5-methyl-2-[methyl(2-phenylethyl)amino]-1,3-thiazole-4-carboxylic acid
SMILESCc1sc(N(C)CCc2ccccc2)nc1C(=O)O
InChIInChI=1S/C14H16N2O2S/c1-10-12(13(17)18)15-14(19-10)16(2)9-8-11-6-4-3-5-7-11/h3-7H,8-9H2,1-2H3,(H,17,18)
InChIKeyIOBYCHHTJTXISS-UHFFFAOYSA-N
XLogP2.83
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.36
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-[methyl(2-phenylethyl)amino]-1,3-thiazole-4-carboxylic acid?
The IUPAC name of 5-methyl-2-[methyl(2-phenylethyl)amino]-1,3-thiazole-4-carboxylic acid (CID 115424607) is 5-methyl-2-[methyl(2-phenylethyl)amino]-1,3-thiazole-4-carboxylic acid.
What is the SMILES notation for 5-methyl-2-[methyl(2-phenylethyl)amino]-1,3-thiazole-4-carboxylic acid?
The canonical SMILES for 5-methyl-2-[methyl(2-phenylethyl)amino]-1,3-thiazole-4-carboxylic acid is Cc1sc(N(C)CCc2ccccc2)nc1C(=O)O.
What is the InChIKey of 5-methyl-2-[methyl(2-phenylethyl)amino]-1,3-thiazole-4-carboxylic acid?
The InChIKey is IOBYCHHTJTXISS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2S/c1-10-12(13(17)18)15-14(19-10)16(2)9-8-11-6-4-3-5-7-11/h3-7H,8-9H2,1-2H3,(H,17,18).
What are the key properties of 5-methyl-2-[methyl(2-phenylethyl)amino]-1,3-thiazole-4-carboxylic acid?
5-methyl-2-[methyl(2-phenylethyl)amino]-1,3-thiazole-4-carboxylic acid has a molecular weight of 276.36 g/mol, XLogP of 2.83, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-[methyl(2-phenylethyl)amino]-1,3-thiazole-4-carboxylic acid is sourced from PubChem (CID 115424607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).