4-(2,4-dichlorophenyl)-5-propan-2-yl-1,3-thiazol-2-amine

C12H12Cl2N2S — CID 28864558

IUPAC4-(2,4-dichlorophenyl)-5-propan-2-yl-1,3-thiazol-2-amine
SMILESCC(C)c1sc(N)nc1-c1ccc(Cl)cc1Cl
InChIInChI=1S/C12H12Cl2N2S/c1-6(2)11-10(16-12(15)17-11)8-4-3-7(13)5-9(8)14/h3-6H,1-2H3,(H2,15,16)
InChIKeyXBXBRFLNYWYLGM-UHFFFAOYSA-N
MW287.22 g/mol
LogP4.82
Rot. Bonds2

About 4-(2,4-dichlorophenyl)-5-propan-2-yl-1,3-thiazol-2-amine

4-(2,4-dichlorophenyl)-5-propan-2-yl-1,3-thiazol-2-amine (PubChem CID 28864558) has the molecular formula C12H12Cl2N2S and a molecular weight of 287.22 g/mol. Its IUPAC name is 4-(2,4-dichlorophenyl)-5-propan-2-yl-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-(2,4-dichlorophenyl)-5-propan-2-yl-1,3-thiazol-2-amine
PubChem CID28864558
Molecular FormulaC12H12Cl2N2S
Molecular Weight287.22 g/mol
Exact Mass286.01
IUPAC Name4-(2,4-dichlorophenyl)-5-propan-2-yl-1,3-thiazol-2-amine
SMILESCC(C)c1sc(N)nc1-c1ccc(Cl)cc1Cl
InChIInChI=1S/C12H12Cl2N2S/c1-6(2)11-10(16-12(15)17-11)8-4-3-7(13)5-9(8)14/h3-6H,1-2H3,(H2,15,16)
InChIKeyXBXBRFLNYWYLGM-UHFFFAOYSA-N
XLogP4.82
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.22
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2,4-dichlorophenyl)-5-ethyl-1,3-thiazol-2-amine
CID 28864557
4-(3-chlorophenyl)-5-propan-2-yl-1,3-thiazol-2-amine
CID 82106721
4-(3,4-difluorophenyl)-5-propan-2-yl-1,3-thiazol-2-amine
CID 82106741
4-(2,4-dichlorophenyl)-5-(3,5-dimethyl-1,2,4-triazol-1-yl)-1,3-thiazol-2-amine
CID 613861
[4-(5-chloro-2-methylphenyl)-5-propan-2-yl-1,3-thiazol-2-yl]methanamine
CID 82106774
5-(2,4-dichlorophenyl)-2-methyl-1,3-thiazol-4-amine
CID 82483791
4-(2,4-dichlorophenyl)-1,3-thiazol-2-amine
CID 704237
ethane;methyl 2-[[4-(2,4-dichlorophenyl)-5-propan-2-yl-1,3-thiazol-2-yl]amino]-5-(trifluoromethyl)pyridine-3-carboxylate
CID 156849541
5-(2,4-dichlorophenyl)sulfanyl-4-methyl-1,3-thiazol-2-amine
CID 121215661
2-tert-butyl-5-(2,4-dichlorophenyl)-3-propan-2-ylimidazol-4-amine
CID 63467471
4,6-dichloro-2-(2,4-dichlorophenyl)-5-propan-2-ylpyrimidine
CID 63612507
4-(4-ethylphenyl)-5-propan-2-yl-1,3-thiazol-2-amine
CID 28864528

Frequently Asked Questions

What is the IUPAC name of 4-(2,4-dichlorophenyl)-5-propan-2-yl-1,3-thiazol-2-amine?
The IUPAC name of 4-(2,4-dichlorophenyl)-5-propan-2-yl-1,3-thiazol-2-amine (CID 28864558) is 4-(2,4-dichlorophenyl)-5-propan-2-yl-1,3-thiazol-2-amine.
What is the SMILES notation for 4-(2,4-dichlorophenyl)-5-propan-2-yl-1,3-thiazol-2-amine?
The canonical SMILES for 4-(2,4-dichlorophenyl)-5-propan-2-yl-1,3-thiazol-2-amine is CC(C)c1sc(N)nc1-c1ccc(Cl)cc1Cl.
What is the InChIKey of 4-(2,4-dichlorophenyl)-5-propan-2-yl-1,3-thiazol-2-amine?
The InChIKey is XBXBRFLNYWYLGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12Cl2N2S/c1-6(2)11-10(16-12(15)17-11)8-4-3-7(13)5-9(8)14/h3-6H,1-2H3,(H2,15,16).
What are the key properties of 4-(2,4-dichlorophenyl)-5-propan-2-yl-1,3-thiazol-2-amine?
4-(2,4-dichlorophenyl)-5-propan-2-yl-1,3-thiazol-2-amine has a molecular weight of 287.22 g/mol, XLogP of 4.82, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,4-dichlorophenyl)-5-propan-2-yl-1,3-thiazol-2-amine is sourced from PubChem (CID 28864558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).