4-cyclopropyl-2-(N-ethyl-4-methylanilino)-1,3-thiazole-5-carboxylic acid

C16H18N2O2S — CID 63915844

IUPAC4-cyclopropyl-2-(N-ethyl-4-methylanilino)-1,3-thiazole-5-carboxylic acid
SMILESCCN(c1ccc(C)cc1)c1nc(C2CC2)c(C(=O)O)s1
InChIInChI=1S/C16H18N2O2S/c1-3-18(12-8-4-10(2)5-9-12)16-17-13(11-6-7-11)14(21-16)15(19)20/h4-5,8-9,11H,3,6-7H2,1-2H3,(H,19,20)
InChIKeyWSYLOXIZZQLXPM-UHFFFAOYSA-N
MW302.40 g/mol
LogP4.19
Rot. Bonds5

About 4-cyclopropyl-2-(N-ethyl-4-methylanilino)-1,3-thiazole-5-carboxylic acid

4-cyclopropyl-2-(N-ethyl-4-methylanilino)-1,3-thiazole-5-carboxylic acid (PubChem CID 63915844) has the molecular formula C16H18N2O2S and a molecular weight of 302.40 g/mol. Its IUPAC name is 4-cyclopropyl-2-(N-ethyl-4-methylanilino)-1,3-thiazole-5-carboxylic acid.

Molecular Properties

Compound Name4-cyclopropyl-2-(N-ethyl-4-methylanilino)-1,3-thiazole-5-carboxylic acid
PubChem CID63915844
Molecular FormulaC16H18N2O2S
Molecular Weight302.40 g/mol
Exact Mass302.11
IUPAC Name4-cyclopropyl-2-(N-ethyl-4-methylanilino)-1,3-thiazole-5-carboxylic acid
SMILESCCN(c1ccc(C)cc1)c1nc(C2CC2)c(C(=O)O)s1
InChIInChI=1S/C16H18N2O2S/c1-3-18(12-8-4-10(2)5-9-12)16-17-13(11-6-7-11)14(21-16)15(19)20/h4-5,8-9,11H,3,6-7H2,1-2H3,(H,19,20)
InChIKeyWSYLOXIZZQLXPM-UHFFFAOYSA-N
XLogP4.19
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.40
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-cyclopropyl-2-(N,4-dimethylanilino)-1,3-thiazole-5-carboxylic acid
CID 63916041
1-[2-(N-ethyl-4-methylanilino)-4-methyl-1,3-thiazol-5-yl]ethanone
CID 62752167
2-[butyl(ethyl)amino]-4-cyclopropyl-1,3-thiazole-5-carboxylic acid
CID 63918554
4-cyclopropyl-2-[methyl-[(3-methylphenyl)methyl]amino]-1,3-thiazole-5-carboxylic acid
CID 63918570
4-cyclopropyl-2-[methyl(2-methylbutan-2-yl)amino]-1,3-thiazole-5-carboxylic acid
CID 63966825
2-(N-ethyl-4-fluoroanilino)-4-propan-2-yl-1,3-thiazole-5-carboxylic acid
CID 79396693
4-cyclopropyl-2-(3-methoxy-N-methylanilino)-1,3-thiazole-5-carboxylic acid
CID 63917791
4-cyclopropyl-2-[cyclopropyl(2-methylpropyl)amino]-1,3-thiazole-5-carboxylic acid
CID 63915648
4-cyclopropyl-2-propyl-1,3-thiazole-5-carboxylic acid
CID 82226918
2-(N-ethyl-3-methylanilino)-4-propan-2-yl-1,3-thiazole-5-carboxylic acid
CID 79396688
4-cyclopropyl-2-[2-methoxyethyl(1-methoxypropan-2-yl)amino]-1,3-thiazole-5-carboxylic acid
CID 63916238
4-cyclopropyl-2-(3,4-dimethylphenyl)-1,3-thiazole-5-carboxylic acid
CID 82488839

Frequently Asked Questions

What is the IUPAC name of 4-cyclopropyl-2-(N-ethyl-4-methylanilino)-1,3-thiazole-5-carboxylic acid?
The IUPAC name of 4-cyclopropyl-2-(N-ethyl-4-methylanilino)-1,3-thiazole-5-carboxylic acid (CID 63915844) is 4-cyclopropyl-2-(N-ethyl-4-methylanilino)-1,3-thiazole-5-carboxylic acid.
What is the SMILES notation for 4-cyclopropyl-2-(N-ethyl-4-methylanilino)-1,3-thiazole-5-carboxylic acid?
The canonical SMILES for 4-cyclopropyl-2-(N-ethyl-4-methylanilino)-1,3-thiazole-5-carboxylic acid is CCN(c1ccc(C)cc1)c1nc(C2CC2)c(C(=O)O)s1.
What is the InChIKey of 4-cyclopropyl-2-(N-ethyl-4-methylanilino)-1,3-thiazole-5-carboxylic acid?
The InChIKey is WSYLOXIZZQLXPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O2S/c1-3-18(12-8-4-10(2)5-9-12)16-17-13(11-6-7-11)14(21-16)15(19)20/h4-5,8-9,11H,3,6-7H2,1-2H3,(H,19,20).
What are the key properties of 4-cyclopropyl-2-(N-ethyl-4-methylanilino)-1,3-thiazole-5-carboxylic acid?
4-cyclopropyl-2-(N-ethyl-4-methylanilino)-1,3-thiazole-5-carboxylic acid has a molecular weight of 302.40 g/mol, XLogP of 4.19, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropyl-2-(N-ethyl-4-methylanilino)-1,3-thiazole-5-carboxylic acid is sourced from PubChem (CID 63915844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).