5-(3,4-dichlorophenyl)-N,4-dimethyl-1,3-thiazol-2-amine

C11H10Cl2N2S — CID 82161765

IUPAC5-(3,4-dichlorophenyl)-N,4-dimethyl-1,3-thiazol-2-amine
SMILESCNc1nc(C)c(-c2ccc(Cl)c(Cl)c2)s1
InChIInChI=1S/C11H10Cl2N2S/c1-6-10(16-11(14-2)15-6)7-3-4-8(12)9(13)5-7/h3-5H,1-2H3,(H,14,15)
InChIKeyXVELUETUDFZKFB-UHFFFAOYSA-N
MW273.19 g/mol
LogP4.47
Rot. Bonds2

About 5-(3,4-dichlorophenyl)-N,4-dimethyl-1,3-thiazol-2-amine

5-(3,4-dichlorophenyl)-N,4-dimethyl-1,3-thiazol-2-amine (PubChem CID 82161765) has the molecular formula C11H10Cl2N2S and a molecular weight of 273.19 g/mol. Its IUPAC name is 5-(3,4-dichlorophenyl)-N,4-dimethyl-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-(3,4-dichlorophenyl)-N,4-dimethyl-1,3-thiazol-2-amine
PubChem CID82161765
Molecular FormulaC11H10Cl2N2S
Molecular Weight273.19 g/mol
Exact Mass271.99
IUPAC Name5-(3,4-dichlorophenyl)-N,4-dimethyl-1,3-thiazol-2-amine
SMILESCNc1nc(C)c(-c2ccc(Cl)c(Cl)c2)s1
InChIInChI=1S/C11H10Cl2N2S/c1-6-10(16-11(14-2)15-6)7-3-4-8(12)9(13)5-7/h3-5H,1-2H3,(H,14,15)
InChIKeyXVELUETUDFZKFB-UHFFFAOYSA-N
XLogP4.47
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.19
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(3,4-dichlorophenyl)-N,4-dimethyl-1,3-thiazol-2-amine?
The IUPAC name of 5-(3,4-dichlorophenyl)-N,4-dimethyl-1,3-thiazol-2-amine (CID 82161765) is 5-(3,4-dichlorophenyl)-N,4-dimethyl-1,3-thiazol-2-amine.
What is the SMILES notation for 5-(3,4-dichlorophenyl)-N,4-dimethyl-1,3-thiazol-2-amine?
The canonical SMILES for 5-(3,4-dichlorophenyl)-N,4-dimethyl-1,3-thiazol-2-amine is CNc1nc(C)c(-c2ccc(Cl)c(Cl)c2)s1.
What is the InChIKey of 5-(3,4-dichlorophenyl)-N,4-dimethyl-1,3-thiazol-2-amine?
The InChIKey is XVELUETUDFZKFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10Cl2N2S/c1-6-10(16-11(14-2)15-6)7-3-4-8(12)9(13)5-7/h3-5H,1-2H3,(H,14,15).
What are the key properties of 5-(3,4-dichlorophenyl)-N,4-dimethyl-1,3-thiazol-2-amine?
5-(3,4-dichlorophenyl)-N,4-dimethyl-1,3-thiazol-2-amine has a molecular weight of 273.19 g/mol, XLogP of 4.47, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,4-dichlorophenyl)-N,4-dimethyl-1,3-thiazol-2-amine is sourced from PubChem (CID 82161765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).