4-chloro-5-(3,5-dimethylphenyl)-1,2-thiazol-3-amine

C11H11ClN2S — CID 83912434

IUPAC4-chloro-5-(3,5-dimethylphenyl)-1,2-thiazol-3-amine
SMILESCc1cc(C)cc(-c2snc(N)c2Cl)c1
InChIInChI=1S/C11H11ClN2S/c1-6-3-7(2)5-8(4-6)10-9(12)11(13)14-15-10/h3-5H,1-2H3,(H2,13,14)
InChIKeyKNJJADBJWBNIFZ-UHFFFAOYSA-N
MW238.74 g/mol
LogP3.66
Rot. Bonds1

About 4-chloro-5-(3,5-dimethylphenyl)-1,2-thiazol-3-amine

4-chloro-5-(3,5-dimethylphenyl)-1,2-thiazol-3-amine (PubChem CID 83912434) has the molecular formula C11H11ClN2S and a molecular weight of 238.74 g/mol. Its IUPAC name is 4-chloro-5-(3,5-dimethylphenyl)-1,2-thiazol-3-amine.

Molecular Properties

Compound Name4-chloro-5-(3,5-dimethylphenyl)-1,2-thiazol-3-amine
PubChem CID83912434
Molecular FormulaC11H11ClN2S
Molecular Weight238.74 g/mol
Exact Mass238.03
IUPAC Name4-chloro-5-(3,5-dimethylphenyl)-1,2-thiazol-3-amine
SMILESCc1cc(C)cc(-c2snc(N)c2Cl)c1
InChIInChI=1S/C11H11ClN2S/c1-6-3-7(2)5-8(4-6)10-9(12)11(13)14-15-10/h3-5H,1-2H3,(H2,13,14)
InChIKeyKNJJADBJWBNIFZ-UHFFFAOYSA-N
XLogP3.66
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.74
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-(3,5-dimethylphenyl)-1,2-thiazol-3-amine?
The IUPAC name of 4-chloro-5-(3,5-dimethylphenyl)-1,2-thiazol-3-amine (CID 83912434) is 4-chloro-5-(3,5-dimethylphenyl)-1,2-thiazol-3-amine.
What is the SMILES notation for 4-chloro-5-(3,5-dimethylphenyl)-1,2-thiazol-3-amine?
The canonical SMILES for 4-chloro-5-(3,5-dimethylphenyl)-1,2-thiazol-3-amine is Cc1cc(C)cc(-c2snc(N)c2Cl)c1.
What is the InChIKey of 4-chloro-5-(3,5-dimethylphenyl)-1,2-thiazol-3-amine?
The InChIKey is KNJJADBJWBNIFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClN2S/c1-6-3-7(2)5-8(4-6)10-9(12)11(13)14-15-10/h3-5H,1-2H3,(H2,13,14).
What are the key properties of 4-chloro-5-(3,5-dimethylphenyl)-1,2-thiazol-3-amine?
4-chloro-5-(3,5-dimethylphenyl)-1,2-thiazol-3-amine has a molecular weight of 238.74 g/mol, XLogP of 3.66, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-(3,5-dimethylphenyl)-1,2-thiazol-3-amine is sourced from PubChem (CID 83912434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).