4-(2,4-dichlorophenyl)-1,3-thiazol-2-amine

C9H6Cl2N2S — CID 704237

IUPAC4-(2,4-dichlorophenyl)-1,3-thiazol-2-amine
SMILESNc1nc(-c2ccc(Cl)cc2Cl)cs1
InChIInChI=1S/C9H6Cl2N2S/c10-5-1-2-6(7(11)3-5)8-4-14-9(12)13-8/h1-4H,(H2,12,13)
InChIKeyAPJACVDBTHESJL-UHFFFAOYSA-N
MW245.13 g/mol
LogP3.70
Rot. Bonds1

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

4-(2,4-dichlorophenyl)-1,3-thiazol-2-amine (PubChem CID 704237) has the molecular formula C9H6Cl2N2S and a molecular weight of 245.13 g/mol. Its IUPAC name is 4-(2,4-dichlorophenyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-(2,4-dichlorophenyl)-1,3-thiazol-2-amine
PubChem CID704237
Molecular FormulaC9H6Cl2N2S
Molecular Weight245.13 g/mol
Exact Mass243.96
IUPAC Name4-(2,4-dichlorophenyl)-1,3-thiazol-2-amine
SMILESNc1nc(-c2ccc(Cl)cc2Cl)cs1
InChIInChI=1S/C9H6Cl2N2S/c10-5-1-2-6(7(11)3-5)8-4-14-9(12)13-8/h1-4H,(H2,12,13)
InChIKeyAPJACVDBTHESJL-UHFFFAOYSA-N
XLogP3.70
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.13
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(2,4-dichlorophenyl)-1,3-thiazol-2-amine?
The IUPAC name of 4-(2,4-dichlorophenyl)-1,3-thiazol-2-amine (CID 704237) is 4-(2,4-dichlorophenyl)-1,3-thiazol-2-amine.
What is the SMILES notation for 4-(2,4-dichlorophenyl)-1,3-thiazol-2-amine?
The canonical SMILES for 4-(2,4-dichlorophenyl)-1,3-thiazol-2-amine is Nc1nc(-c2ccc(Cl)cc2Cl)cs1.
What is the InChIKey of 4-(2,4-dichlorophenyl)-1,3-thiazol-2-amine?
The InChIKey is APJACVDBTHESJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6Cl2N2S/c10-5-1-2-6(7(11)3-5)8-4-14-9(12)13-8/h1-4H,(H2,12,13).
What are the key properties of 4-(2,4-dichlorophenyl)-1,3-thiazol-2-amine?
4-(2,4-dichlorophenyl)-1,3-thiazol-2-amine has a molecular weight of 245.13 g/mol, XLogP of 3.70, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,4-dichlorophenyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 704237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).