N-(2,6-dichlorophenyl)-4-(2,4-dimethylphenyl)-5-methyl-1,3-thiazol-2-amine

C18H16Cl2N2S — CID 126055034

IUPACN-(2,6-dichlorophenyl)-4-(2,4-dimethylphenyl)-5-methyl-1,3-thiazol-2-amine
SMILESCc1ccc(-c2nc(Nc3c(Cl)cccc3Cl)sc2C)c(C)c1
InChIInChI=1S/C18H16Cl2N2S/c1-10-7-8-13(11(2)9-10)16-12(3)23-18(21-16)22-17-14(19)5-4-6-15(17)20/h4-9H,1-3H3,(H,21,22)
InChIKeySSWFJMFVRSLYGP-UHFFFAOYSA-N
MW363.31 g/mol
LogP6.79
Rot. Bonds3

About N-(2,6-dichlorophenyl)-4-(2,4-dimethylphenyl)-5-methyl-1,3-thiazol-2-amine

N-(2,6-dichlorophenyl)-4-(2,4-dimethylphenyl)-5-methyl-1,3-thiazol-2-amine (PubChem CID 126055034) has the molecular formula C18H16Cl2N2S and a molecular weight of 363.31 g/mol. Its IUPAC name is N-(2,6-dichlorophenyl)-4-(2,4-dimethylphenyl)-5-methyl-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-(2,6-dichlorophenyl)-4-(2,4-dimethylphenyl)-5-methyl-1,3-thiazol-2-amine
PubChem CID126055034
Molecular FormulaC18H16Cl2N2S
Molecular Weight363.31 g/mol
Exact Mass362.04
IUPAC NameN-(2,6-dichlorophenyl)-4-(2,4-dimethylphenyl)-5-methyl-1,3-thiazol-2-amine
SMILESCc1ccc(-c2nc(Nc3c(Cl)cccc3Cl)sc2C)c(C)c1
InChIInChI=1S/C18H16Cl2N2S/c1-10-7-8-13(11(2)9-10)16-12(3)23-18(21-16)22-17-14(19)5-4-6-15(17)20/h4-9H,1-3H3,(H,21,22)
InChIKeySSWFJMFVRSLYGP-UHFFFAOYSA-N
XLogP6.79
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500363.31
LogP ≤ 56.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2,6-dichlorophenyl)-4-(2,4-dimethylphenyl)-5-methyl-1,3-thiazol-2-amine?
The IUPAC name of N-(2,6-dichlorophenyl)-4-(2,4-dimethylphenyl)-5-methyl-1,3-thiazol-2-amine (CID 126055034) is N-(2,6-dichlorophenyl)-4-(2,4-dimethylphenyl)-5-methyl-1,3-thiazol-2-amine.
What is the SMILES notation for N-(2,6-dichlorophenyl)-4-(2,4-dimethylphenyl)-5-methyl-1,3-thiazol-2-amine?
The canonical SMILES for N-(2,6-dichlorophenyl)-4-(2,4-dimethylphenyl)-5-methyl-1,3-thiazol-2-amine is Cc1ccc(-c2nc(Nc3c(Cl)cccc3Cl)sc2C)c(C)c1.
What is the InChIKey of N-(2,6-dichlorophenyl)-4-(2,4-dimethylphenyl)-5-methyl-1,3-thiazol-2-amine?
The InChIKey is SSWFJMFVRSLYGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16Cl2N2S/c1-10-7-8-13(11(2)9-10)16-12(3)23-18(21-16)22-17-14(19)5-4-6-15(17)20/h4-9H,1-3H3,(H,21,22).
What are the key properties of N-(2,6-dichlorophenyl)-4-(2,4-dimethylphenyl)-5-methyl-1,3-thiazol-2-amine?
N-(2,6-dichlorophenyl)-4-(2,4-dimethylphenyl)-5-methyl-1,3-thiazol-2-amine has a molecular weight of 363.31 g/mol, XLogP of 6.79, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dichlorophenyl)-4-(2,4-dimethylphenyl)-5-methyl-1,3-thiazol-2-amine is sourced from PubChem (CID 126055034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).