2-(2,5-dichloro-4-methylanilino)-1,3-thiazole-5-carboxylic acid

C11H8Cl2N2O2S — CID 104728582

IUPAC2-(2,5-dichloro-4-methylanilino)-1,3-thiazole-5-carboxylic acid
SMILESCc1cc(Cl)c(Nc2ncc(C(=O)O)s2)cc1Cl
InChIInChI=1S/C11H8Cl2N2O2S/c1-5-2-7(13)8(3-6(5)12)15-11-14-4-9(18-11)10(16)17/h2-4H,1H3,(H,14,15)(H,16,17)
InChIKeyLRBUHDPRGCMASU-UHFFFAOYSA-N
MW303.17 g/mol
LogP4.20
Rot. Bonds3

About 2-(2,5-dichloro-4-methylanilino)-1,3-thiazole-5-carboxylic acid

2-(2,5-dichloro-4-methylanilino)-1,3-thiazole-5-carboxylic acid (PubChem CID 104728582) has the molecular formula C11H8Cl2N2O2S and a molecular weight of 303.17 g/mol. Its IUPAC name is 2-(2,5-dichloro-4-methylanilino)-1,3-thiazole-5-carboxylic acid.

Molecular Properties

Compound Name2-(2,5-dichloro-4-methylanilino)-1,3-thiazole-5-carboxylic acid
PubChem CID104728582
Molecular FormulaC11H8Cl2N2O2S
Molecular Weight303.17 g/mol
Exact Mass301.97
IUPAC Name2-(2,5-dichloro-4-methylanilino)-1,3-thiazole-5-carboxylic acid
SMILESCc1cc(Cl)c(Nc2ncc(C(=O)O)s2)cc1Cl
InChIInChI=1S/C11H8Cl2N2O2S/c1-5-2-7(13)8(3-6(5)12)15-11-14-4-9(18-11)10(16)17/h2-4H,1H3,(H,14,15)(H,16,17)
InChIKeyLRBUHDPRGCMASU-UHFFFAOYSA-N
XLogP4.20
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.17
LogP ≤ 54.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-chloro-5-fluoroanilino)-1,3-thiazole-5-carboxylic acid
CID 107531721
2-(3,5-dimethylanilino)-1,3-thiazole-5-carboxylic acid
CID 80571652
2-(3,4-dichloroanilino)-1,3-thiazole-5-carboxylic acid
CID 80572321
methyl 2-(2-chloro-5-methylanilino)-1,3-thiazole-5-carboxylate
CID 107638510
2-(2,6-dichloroanilino)-1,3-thiazole-5-carboxylic acid
CID 80571332
2-(3,5-dichloroanilino)-1,3-thiazole-5-carboxylic acid
CID 80571776
2-(3,5-dichloro-4-fluoroanilino)-1,3-thiazole-5-carboxylic acid
CID 107580551
2-(3-chloro-2-fluoroanilino)-1,3-thiazole-5-carboxylic acid
CID 80571660
2-[(3,5-dichloro-8λ4-thia-7,9-diazabicyclo[4.3.0]nona-1(6),2,4,7,8-pentaen-2-yl)amino]-1,3-thiazole-5-carboxylic acid
CID 80571642
2-(2-aminoanilino)-1,3-thiazole-5-carboxylic acid
CID 87396018
[2-(2-methylanilino)-1,3-thiazol-5-yl]-phenylmethanone
CID 87869649
methyl 2-[2-chloro-4-(trifluoromethyl)anilino]-1,3-thiazole-5-carboxylate
CID 80571913

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dichloro-4-methylanilino)-1,3-thiazole-5-carboxylic acid?
The IUPAC name of 2-(2,5-dichloro-4-methylanilino)-1,3-thiazole-5-carboxylic acid (CID 104728582) is 2-(2,5-dichloro-4-methylanilino)-1,3-thiazole-5-carboxylic acid.
What is the SMILES notation for 2-(2,5-dichloro-4-methylanilino)-1,3-thiazole-5-carboxylic acid?
The canonical SMILES for 2-(2,5-dichloro-4-methylanilino)-1,3-thiazole-5-carboxylic acid is Cc1cc(Cl)c(Nc2ncc(C(=O)O)s2)cc1Cl.
What is the InChIKey of 2-(2,5-dichloro-4-methylanilino)-1,3-thiazole-5-carboxylic acid?
The InChIKey is LRBUHDPRGCMASU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8Cl2N2O2S/c1-5-2-7(13)8(3-6(5)12)15-11-14-4-9(18-11)10(16)17/h2-4H,1H3,(H,14,15)(H,16,17).
What are the key properties of 2-(2,5-dichloro-4-methylanilino)-1,3-thiazole-5-carboxylic acid?
2-(2,5-dichloro-4-methylanilino)-1,3-thiazole-5-carboxylic acid has a molecular weight of 303.17 g/mol, XLogP of 4.20, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dichloro-4-methylanilino)-1,3-thiazole-5-carboxylic acid is sourced from PubChem (CID 104728582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).