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

C13H14Cl2N2S — CID 116812335

IUPAC5-(2,4-dichlorophenyl)-N-(2-methylpropyl)-1,3-thiazol-2-amine
SMILESCC(C)CNc1ncc(-c2ccc(Cl)cc2Cl)s1
InChIInChI=1S/C13H14Cl2N2S/c1-8(2)6-16-13-17-7-12(18-13)10-4-3-9(14)5-11(10)15/h3-5,7-8H,6H2,1-2H3,(H,16,17)
InChIKeyIHMNGNQKCPUQKW-UHFFFAOYSA-N
MW301.24 g/mol
LogP5.18
Rot. Bonds4

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

5-(2,4-dichlorophenyl)-N-(2-methylpropyl)-1,3-thiazol-2-amine (PubChem CID 116812335) has the molecular formula C13H14Cl2N2S and a molecular weight of 301.24 g/mol. Its IUPAC name is 5-(2,4-dichlorophenyl)-N-(2-methylpropyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-(2,4-dichlorophenyl)-N-(2-methylpropyl)-1,3-thiazol-2-amine
PubChem CID116812335
Molecular FormulaC13H14Cl2N2S
Molecular Weight301.24 g/mol
Exact Mass300.03
IUPAC Name5-(2,4-dichlorophenyl)-N-(2-methylpropyl)-1,3-thiazol-2-amine
SMILESCC(C)CNc1ncc(-c2ccc(Cl)cc2Cl)s1
InChIInChI=1S/C13H14Cl2N2S/c1-8(2)6-16-13-17-7-12(18-13)10-4-3-9(14)5-11(10)15/h3-5,7-8H,6H2,1-2H3,(H,16,17)
InChIKeyIHMNGNQKCPUQKW-UHFFFAOYSA-N
XLogP5.18
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500301.24
LogP ≤ 55.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-(3-chlorophenyl)-N-(2-methylpropyl)-1,3-thiazol-2-amine
CID 116812281
5-(4-methylphenyl)-N-(2-methylpropyl)-1,3-thiazol-2-amine
CID 116812351
5-(2-chlorophenyl)-N-ethyl-1,3-thiazol-2-amine
CID 116811958
5-(4-bromo-2-chlorophenyl)-N-methyl-1,3-thiazol-2-amine
CID 116811845
N-[1-[5-(2,4-dichlorophenyl)thiophen-2-yl]ethyl]propan-1-amine
CID 43288307
5-(2,4-difluorophenyl)-N-ethyl-1,3-thiazol-2-amine
CID 116811974
5-(5-chloroquinolin-8-yl)-N-ethyl-1,3-thiazol-2-amine
CID 116811986
N-[[4-(2,4-dichlorophenyl)thiadiazol-5-yl]methyl]-2-methylpropan-1-amine
CID 65209016
5-(3,5-dichlorophenyl)-N-ethyl-1,3-thiazol-2-amine
CID 116812059
N-(2-methylpropyl)-5-(1-phenylpyrazol-4-yl)-1,3-thiazol-2-amine
CID 116812361
4-(2,4-dichlorophenyl)-1,3-thiazole
CID 4009904
5-(3-chloro-4-fluorophenyl)-N-(2-methoxyethyl)-1,3-thiazol-2-amine
CID 116812431

Frequently Asked Questions

What is the IUPAC name of 5-(2,4-dichlorophenyl)-N-(2-methylpropyl)-1,3-thiazol-2-amine?
The IUPAC name of 5-(2,4-dichlorophenyl)-N-(2-methylpropyl)-1,3-thiazol-2-amine (CID 116812335) is 5-(2,4-dichlorophenyl)-N-(2-methylpropyl)-1,3-thiazol-2-amine.
What is the SMILES notation for 5-(2,4-dichlorophenyl)-N-(2-methylpropyl)-1,3-thiazol-2-amine?
The canonical SMILES for 5-(2,4-dichlorophenyl)-N-(2-methylpropyl)-1,3-thiazol-2-amine is CC(C)CNc1ncc(-c2ccc(Cl)cc2Cl)s1.
What is the InChIKey of 5-(2,4-dichlorophenyl)-N-(2-methylpropyl)-1,3-thiazol-2-amine?
The InChIKey is IHMNGNQKCPUQKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14Cl2N2S/c1-8(2)6-16-13-17-7-12(18-13)10-4-3-9(14)5-11(10)15/h3-5,7-8H,6H2,1-2H3,(H,16,17).
What are the key properties of 5-(2,4-dichlorophenyl)-N-(2-methylpropyl)-1,3-thiazol-2-amine?
5-(2,4-dichlorophenyl)-N-(2-methylpropyl)-1,3-thiazol-2-amine has a molecular weight of 301.24 g/mol, XLogP of 5.18, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,4-dichlorophenyl)-N-(2-methylpropyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 116812335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).