4-(3,5-dichloro-4-methylphenyl)-1,3-thiazol-2-amine

C10H8Cl2N2S — CID 91362030

IUPAC4-(3,5-dichloro-4-methylphenyl)-1,3-thiazol-2-amine
SMILESCc1c(Cl)cc(-c2csc(N)n2)cc1Cl
InChIInChI=1S/C10H8Cl2N2S/c1-5-7(11)2-6(3-8(5)12)9-4-15-10(13)14-9/h2-4H,1H3,(H2,13,14)
InChIKeyWBKTXZVJNDDWRM-UHFFFAOYSA-N
MW259.16 g/mol
LogP4.01
Rot. Bonds1

About 4-(3,5-dichloro-4-methylphenyl)-1,3-thiazol-2-amine

4-(3,5-dichloro-4-methylphenyl)-1,3-thiazol-2-amine (PubChem CID 91362030) has the molecular formula C10H8Cl2N2S and a molecular weight of 259.16 g/mol. Its IUPAC name is 4-(3,5-dichloro-4-methylphenyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-(3,5-dichloro-4-methylphenyl)-1,3-thiazol-2-amine
PubChem CID91362030
Molecular FormulaC10H8Cl2N2S
Molecular Weight259.16 g/mol
Exact Mass257.98
IUPAC Name4-(3,5-dichloro-4-methylphenyl)-1,3-thiazol-2-amine
SMILESCc1c(Cl)cc(-c2csc(N)n2)cc1Cl
InChIInChI=1S/C10H8Cl2N2S/c1-5-7(11)2-6(3-8(5)12)9-4-15-10(13)14-9/h2-4H,1H3,(H2,13,14)
InChIKeyWBKTXZVJNDDWRM-UHFFFAOYSA-N
XLogP4.01
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.16
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(3,5-dichloro-4-methylphenyl)-1,3-thiazol-2-amine?
The IUPAC name of 4-(3,5-dichloro-4-methylphenyl)-1,3-thiazol-2-amine (CID 91362030) is 4-(3,5-dichloro-4-methylphenyl)-1,3-thiazol-2-amine.
What is the SMILES notation for 4-(3,5-dichloro-4-methylphenyl)-1,3-thiazol-2-amine?
The canonical SMILES for 4-(3,5-dichloro-4-methylphenyl)-1,3-thiazol-2-amine is Cc1c(Cl)cc(-c2csc(N)n2)cc1Cl.
What is the InChIKey of 4-(3,5-dichloro-4-methylphenyl)-1,3-thiazol-2-amine?
The InChIKey is WBKTXZVJNDDWRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8Cl2N2S/c1-5-7(11)2-6(3-8(5)12)9-4-15-10(13)14-9/h2-4H,1H3,(H2,13,14).
What are the key properties of 4-(3,5-dichloro-4-methylphenyl)-1,3-thiazol-2-amine?
4-(3,5-dichloro-4-methylphenyl)-1,3-thiazol-2-amine has a molecular weight of 259.16 g/mol, XLogP of 4.01, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,5-dichloro-4-methylphenyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 91362030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).