4-methyl-2-(N,2,4-trimethylanilino)-1,3-thiazole-5-carboxylic acid

C14H16N2O2S — CID 62764612

IUPAC4-methyl-2-(N,2,4-trimethylanilino)-1,3-thiazole-5-carboxylic acid
SMILESCc1ccc(N(C)c2nc(C)c(C(=O)O)s2)c(C)c1
InChIInChI=1S/C14H16N2O2S/c1-8-5-6-11(9(2)7-8)16(4)14-15-10(3)12(19-14)13(17)18/h5-7H,1-4H3,(H,17,18)
InChIKeySACYWHBUONXBPK-UHFFFAOYSA-N
MW276.36 g/mol
LogP3.53
Rot. Bonds3

About 4-methyl-2-(N,2,4-trimethylanilino)-1,3-thiazole-5-carboxylic acid

4-methyl-2-(N,2,4-trimethylanilino)-1,3-thiazole-5-carboxylic acid (PubChem CID 62764612) has the molecular formula C14H16N2O2S and a molecular weight of 276.36 g/mol. Its IUPAC name is 4-methyl-2-(N,2,4-trimethylanilino)-1,3-thiazole-5-carboxylic acid.

Molecular Properties

Compound Name4-methyl-2-(N,2,4-trimethylanilino)-1,3-thiazole-5-carboxylic acid
PubChem CID62764612
Molecular FormulaC14H16N2O2S
Molecular Weight276.36 g/mol
Exact Mass276.09
IUPAC Name4-methyl-2-(N,2,4-trimethylanilino)-1,3-thiazole-5-carboxylic acid
SMILESCc1ccc(N(C)c2nc(C)c(C(=O)O)s2)c(C)c1
InChIInChI=1S/C14H16N2O2S/c1-8-5-6-11(9(2)7-8)16(4)14-15-10(3)12(19-14)13(17)18/h5-7H,1-4H3,(H,17,18)
InChIKeySACYWHBUONXBPK-UHFFFAOYSA-N
XLogP3.53
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.36
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[4-methyl-2-(N,2,4-trimethylanilino)-1,3-thiazol-5-yl]methanol
CID 55117860
4-methyl-2-(N,2,4-trimethylanilino)-1,3-thiazole-5-carbaldehyde
CID 62766091
2-(3-fluoro-N-methylanilino)-4-methyl-1,3-thiazole-5-carboxylic acid
CID 62765130
6-methyl-2-(N,2,4-trimethylanilino)-1,3-benzothiazin-4-one
CID 59485224
4-propan-2-yl-2-(N,2,4-trimethylanilino)-1,3-thiazole-5-carbaldehyde
CID 79392692
5-amino-2-(N,2,4-trimethylanilino)benzoic acid
CID 62001776
5-fluoro-2-(N,2,4-trimethylanilino)benzoic acid
CID 63536667
4-methyl-2-(N-methylanilino)-1,3-thiazole-5-carboxamide
CID 30134205
6-(N,2,4-trimethylanilino)pyrazine-2-carboxylic acid
CID 66449315
2-(N,2-dimethylanilino)-4-propyl-1,3-thiazole-5-carboxylic acid
CID 62766149
2-[(4-chlorophenyl)methyl-methylamino]-4-methyl-1,3-thiazole-5-carboxylic acid
CID 62765645
2-(2,5-dimethylanilino)-4-methyl-1,3-thiazole-5-carboxylic acid
CID 1132750

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-(N,2,4-trimethylanilino)-1,3-thiazole-5-carboxylic acid?
The IUPAC name of 4-methyl-2-(N,2,4-trimethylanilino)-1,3-thiazole-5-carboxylic acid (CID 62764612) is 4-methyl-2-(N,2,4-trimethylanilino)-1,3-thiazole-5-carboxylic acid.
What is the SMILES notation for 4-methyl-2-(N,2,4-trimethylanilino)-1,3-thiazole-5-carboxylic acid?
The canonical SMILES for 4-methyl-2-(N,2,4-trimethylanilino)-1,3-thiazole-5-carboxylic acid is Cc1ccc(N(C)c2nc(C)c(C(=O)O)s2)c(C)c1.
What is the InChIKey of 4-methyl-2-(N,2,4-trimethylanilino)-1,3-thiazole-5-carboxylic acid?
The InChIKey is SACYWHBUONXBPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2S/c1-8-5-6-11(9(2)7-8)16(4)14-15-10(3)12(19-14)13(17)18/h5-7H,1-4H3,(H,17,18).
What are the key properties of 4-methyl-2-(N,2,4-trimethylanilino)-1,3-thiazole-5-carboxylic acid?
4-methyl-2-(N,2,4-trimethylanilino)-1,3-thiazole-5-carboxylic acid has a molecular weight of 276.36 g/mol, XLogP of 3.53, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-(N,2,4-trimethylanilino)-1,3-thiazole-5-carboxylic acid is sourced from PubChem (CID 62764612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).