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

C16H20N2O2S — CID 79396688

IUPAC2-(N-ethyl-3-methylanilino)-4-propan-2-yl-1,3-thiazole-5-carboxylic acid
SMILESCCN(c1cccc(C)c1)c1nc(C(C)C)c(C(=O)O)s1
InChIInChI=1S/C16H20N2O2S/c1-5-18(12-8-6-7-11(4)9-12)16-17-13(10(2)3)14(21-16)15(19)20/h6-10H,5H2,1-4H3,(H,19,20)
InChIKeyANAMZYOYJATGIR-UHFFFAOYSA-N
MW304.42 g/mol
LogP4.43
Rot. Bonds5

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

2-(N-ethyl-3-methylanilino)-4-propan-2-yl-1,3-thiazole-5-carboxylic acid (PubChem CID 79396688) has the molecular formula C16H20N2O2S and a molecular weight of 304.42 g/mol. Its IUPAC name is 2-(N-ethyl-3-methylanilino)-4-propan-2-yl-1,3-thiazole-5-carboxylic acid.

Molecular Properties

Compound Name2-(N-ethyl-3-methylanilino)-4-propan-2-yl-1,3-thiazole-5-carboxylic acid
PubChem CID79396688
Molecular FormulaC16H20N2O2S
Molecular Weight304.42 g/mol
Exact Mass304.12
IUPAC Name2-(N-ethyl-3-methylanilino)-4-propan-2-yl-1,3-thiazole-5-carboxylic acid
SMILESCCN(c1cccc(C)c1)c1nc(C(C)C)c(C(=O)O)s1
InChIInChI=1S/C16H20N2O2S/c1-5-18(12-8-6-7-11(4)9-12)16-17-13(10(2)3)14(21-16)15(19)20/h6-10H,5H2,1-4H3,(H,19,20)
InChIKeyANAMZYOYJATGIR-UHFFFAOYSA-N
XLogP4.43
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.42
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(N-ethyl-4-fluoroanilino)-4-propan-2-yl-1,3-thiazole-5-carboxylic acid
CID 79396693
5-acetyl-2-(N-ethyl-3-methylanilino)-1,3-thiazole-4-carboxylic acid
CID 106697115
2-(N-ethyl-3-fluoroanilino)-4-methyl-1,3-thiazole-5-carboxylic acid
CID 62765126
2-[(N-ethyl-3-methylanilino)methyl]-4-methyl-1,3-thiazole-5-carboxylic acid
CID 39160887
2-(N,3-dimethylanilino)-4-propyl-1,3-thiazole-5-carboxylic acid
CID 62765123
2-(N-ethyl-3-methylanilino)-6-fluorobenzoic acid
CID 79523101
2-(4-fluoro-N-methylanilino)-4-propan-2-yl-1,3-thiazole-5-carboxylic acid
CID 79393052
6-(N-ethyl-3-methylanilino)pyridine-3-carboxylic acid
CID 61101859
2-(N-ethyl-3-methylanilino)-6-methylpyridine-3-carboxylic acid
CID 62701835
4-propan-2-yl-2-[propan-2-yl(propyl)amino]-1,3-thiazole-5-carboxylic acid
CID 79393407
3-bromo-4-(N-ethyl-3-methylanilino)benzoic acid
CID 82800688
2-[cyclopentyl(ethyl)amino]-4-propan-2-yl-1,3-thiazole-5-carboxylic acid
CID 79392907

Frequently Asked Questions

What is the IUPAC name of 2-(N-ethyl-3-methylanilino)-4-propan-2-yl-1,3-thiazole-5-carboxylic acid?
The IUPAC name of 2-(N-ethyl-3-methylanilino)-4-propan-2-yl-1,3-thiazole-5-carboxylic acid (CID 79396688) is 2-(N-ethyl-3-methylanilino)-4-propan-2-yl-1,3-thiazole-5-carboxylic acid.
What is the SMILES notation for 2-(N-ethyl-3-methylanilino)-4-propan-2-yl-1,3-thiazole-5-carboxylic acid?
The canonical SMILES for 2-(N-ethyl-3-methylanilino)-4-propan-2-yl-1,3-thiazole-5-carboxylic acid is CCN(c1cccc(C)c1)c1nc(C(C)C)c(C(=O)O)s1.
What is the InChIKey of 2-(N-ethyl-3-methylanilino)-4-propan-2-yl-1,3-thiazole-5-carboxylic acid?
The InChIKey is ANAMZYOYJATGIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2S/c1-5-18(12-8-6-7-11(4)9-12)16-17-13(10(2)3)14(21-16)15(19)20/h6-10H,5H2,1-4H3,(H,19,20).
What are the key properties of 2-(N-ethyl-3-methylanilino)-4-propan-2-yl-1,3-thiazole-5-carboxylic acid?
2-(N-ethyl-3-methylanilino)-4-propan-2-yl-1,3-thiazole-5-carboxylic acid has a molecular weight of 304.42 g/mol, XLogP of 4.43, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-ethyl-3-methylanilino)-4-propan-2-yl-1,3-thiazole-5-carboxylic acid is sourced from PubChem (CID 79396688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).