5-[[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]amino]-2H-triazole-4-carboxylic acid

C12H7Cl2N5O2S — CID 155250270

IUPAC5-[[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]amino]-2H-triazole-4-carboxylic acid
SMILESO=C(O)c1n[nH]nc1Nc1nc(-c2ccc(Cl)c(Cl)c2)cs1
InChIInChI=1S/C12H7Cl2N5O2S/c13-6-2-1-5(3-7(6)14)8-4-22-12(15-8)16-10-9(11(20)21)17-19-18-10/h1-4H,(H,20,21)(H2,15,16,17,18,19)
InChIKeySLUIFTUYIOYYOS-UHFFFAOYSA-N
MW356.19 g/mol
LogP3.68
Rot. Bonds4

About 5-[[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]amino]-2H-triazole-4-carboxylic acid

5-[[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]amino]-2H-triazole-4-carboxylic acid (PubChem CID 155250270) has the molecular formula C12H7Cl2N5O2S and a molecular weight of 356.19 g/mol. Its IUPAC name is 5-[[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]amino]-2H-triazole-4-carboxylic acid.

Molecular Properties

Compound Name5-[[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]amino]-2H-triazole-4-carboxylic acid
PubChem CID155250270
Molecular FormulaC12H7Cl2N5O2S
Molecular Weight356.19 g/mol
Exact Mass354.97
IUPAC Name5-[[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]amino]-2H-triazole-4-carboxylic acid
SMILESO=C(O)c1n[nH]nc1Nc1nc(-c2ccc(Cl)c(Cl)c2)cs1
InChIInChI=1S/C12H7Cl2N5O2S/c13-6-2-1-5(3-7(6)14)8-4-22-12(15-8)16-10-9(11(20)21)17-19-18-10/h1-4H,(H,20,21)(H2,15,16,17,18,19)
InChIKeySLUIFTUYIOYYOS-UHFFFAOYSA-N
XLogP3.68
TPSA103.79 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.19
LogP ≤ 53.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

5-[[2-(3,4-dichlorophenyl)-1,3-thiazol-4-yl]amino]-2H-triazole-4-carboxylic acid
CID 155415528
4-[[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]amino]-4-oxobut-2-enoic acid
CID 844119
2-bromo-N-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]acetamide
CID 63678715
4-(3,4-dichlorophenyl)-N-(4-fluorophenyl)-1,3-thiazol-2-amine
CID 166194872
5-(3,4-dichlorophenyl)-2H-triazole-4-carboxylic acid
CID 83656916
N'-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]acetohydrazide
CID 4174177
[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]hydrazine
CID 7174071
2-N,5-N-bis[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]thiophene-2,5-dicarboxamide
CID 5121730
2-[4-[[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]amino]phenyl]ethanol
CID 71814305
2-(4-chlorophenyl)-N-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]acetamide
CID 4244031
4-N-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]benzene-1,4-diamine
CID 25101049
methyl 3-[[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]amino]benzoate
CID 84565454

Frequently Asked Questions

What is the IUPAC name of 5-[[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]amino]-2H-triazole-4-carboxylic acid?
The IUPAC name of 5-[[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]amino]-2H-triazole-4-carboxylic acid (CID 155250270) is 5-[[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]amino]-2H-triazole-4-carboxylic acid.
What is the SMILES notation for 5-[[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]amino]-2H-triazole-4-carboxylic acid?
The canonical SMILES for 5-[[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]amino]-2H-triazole-4-carboxylic acid is O=C(O)c1n[nH]nc1Nc1nc(-c2ccc(Cl)c(Cl)c2)cs1.
What is the InChIKey of 5-[[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]amino]-2H-triazole-4-carboxylic acid?
The InChIKey is SLUIFTUYIOYYOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7Cl2N5O2S/c13-6-2-1-5(3-7(6)14)8-4-22-12(15-8)16-10-9(11(20)21)17-19-18-10/h1-4H,(H,20,21)(H2,15,16,17,18,19).
What are the key properties of 5-[[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]amino]-2H-triazole-4-carboxylic acid?
5-[[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]amino]-2H-triazole-4-carboxylic acid has a molecular weight of 356.19 g/mol, XLogP of 3.68, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]amino]-2H-triazole-4-carboxylic acid is sourced from PubChem (CID 155250270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).