4-[3,5-dichloro-4-(2-methylpropoxy)phenyl]-1,3-thiazol-2-amine

C13H14Cl2N2OS — CID 57461655

IUPAC4-[3,5-dichloro-4-(2-methylpropoxy)phenyl]-1,3-thiazol-2-amine
SMILESCC(C)COc1c(Cl)cc(-c2csc(N)n2)cc1Cl
InChIInChI=1S/C13H14Cl2N2OS/c1-7(2)5-18-12-9(14)3-8(4-10(12)15)11-6-19-13(16)17-11/h3-4,6-7H,5H2,1-2H3,(H2,16,17)
InChIKeyGVURXDAJRUFZMT-UHFFFAOYSA-N
MW317.24 g/mol
LogP4.73
Rot. Bonds4

About 4-[3,5-dichloro-4-(2-methylpropoxy)phenyl]-1,3-thiazol-2-amine

4-[3,5-dichloro-4-(2-methylpropoxy)phenyl]-1,3-thiazol-2-amine (PubChem CID 57461655) has the molecular formula C13H14Cl2N2OS and a molecular weight of 317.24 g/mol. Its IUPAC name is 4-[3,5-dichloro-4-(2-methylpropoxy)phenyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-[3,5-dichloro-4-(2-methylpropoxy)phenyl]-1,3-thiazol-2-amine
PubChem CID57461655
Molecular FormulaC13H14Cl2N2OS
Molecular Weight317.24 g/mol
Exact Mass316.02
IUPAC Name4-[3,5-dichloro-4-(2-methylpropoxy)phenyl]-1,3-thiazol-2-amine
SMILESCC(C)COc1c(Cl)cc(-c2csc(N)n2)cc1Cl
InChIInChI=1S/C13H14Cl2N2OS/c1-7(2)5-18-12-9(14)3-8(4-10(12)15)11-6-19-13(16)17-11/h3-4,6-7H,5H2,1-2H3,(H2,16,17)
InChIKeyGVURXDAJRUFZMT-UHFFFAOYSA-N
XLogP4.73
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.24
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(3,5-dichloro-4-methylphenyl)-1,3-thiazol-2-amine
CID 91362030
4-[3,5-difluoro-4-(3-methylbutoxy)phenyl]-1,3-thiazol-2-amine
CID 57461658
2-bromo-N-[4-[3-chloro-5-fluoro-4-(2-methylpropoxy)phenyl]-1,3-thiazol-2-yl]acetamide
CID 87388301
4-(3,5-ditert-butyl-4-ethoxyphenyl)-1,3-thiazol-2-amine
CID 3767969
5-(2-ethyl-1,3-thiazol-4-yl)-2-(2-methylpropoxy)aniline
CID 82057810
3-[3,5-dichloro-4-(2-methylpropoxy)phenyl]-1,4,5-triazatricyclo[5.2.2.02,6]undeca-2(6),3-diene
CID 110534662
N-[(Z)-[3-chloro-5-ethoxy-4-(2-methylpropoxy)phenyl]methylideneamino]-4-(3,4-dimethylphenyl)-1,3-thiazol-2-amine
CID 110529726
4-[4-(3,4-dichlorophenoxy)phenyl]-1,3-thiazol-2-amine
CID 10404792
4-[3-chloro-5-(fluoromethyl)phenyl]-1,3-thiazol-2-amine
CID 118641332
4-[4-(dimethylamino)-3,5-difluorophenyl]-1,3-thiazol-2-amine
CID 121006255
ethyl 4-(3-chloro-4,5-dimethoxyphenyl)-1,3-thiazole-2-carboxylate
CID 19375962
4-(2-ethoxy-5-propan-2-ylphenyl)-1,3-thiazol-2-amine
CID 5091482

Frequently Asked Questions

What is the IUPAC name of 4-[3,5-dichloro-4-(2-methylpropoxy)phenyl]-1,3-thiazol-2-amine?
The IUPAC name of 4-[3,5-dichloro-4-(2-methylpropoxy)phenyl]-1,3-thiazol-2-amine (CID 57461655) is 4-[3,5-dichloro-4-(2-methylpropoxy)phenyl]-1,3-thiazol-2-amine.
What is the SMILES notation for 4-[3,5-dichloro-4-(2-methylpropoxy)phenyl]-1,3-thiazol-2-amine?
The canonical SMILES for 4-[3,5-dichloro-4-(2-methylpropoxy)phenyl]-1,3-thiazol-2-amine is CC(C)COc1c(Cl)cc(-c2csc(N)n2)cc1Cl.
What is the InChIKey of 4-[3,5-dichloro-4-(2-methylpropoxy)phenyl]-1,3-thiazol-2-amine?
The InChIKey is GVURXDAJRUFZMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14Cl2N2OS/c1-7(2)5-18-12-9(14)3-8(4-10(12)15)11-6-19-13(16)17-11/h3-4,6-7H,5H2,1-2H3,(H2,16,17).
What are the key properties of 4-[3,5-dichloro-4-(2-methylpropoxy)phenyl]-1,3-thiazol-2-amine?
4-[3,5-dichloro-4-(2-methylpropoxy)phenyl]-1,3-thiazol-2-amine has a molecular weight of 317.24 g/mol, XLogP of 4.73, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3,5-dichloro-4-(2-methylpropoxy)phenyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 57461655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).