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

C13H14Cl2N2S — CID 2507086

IUPACN-tert-butyl-4-(2,5-dichlorophenyl)-1,3-thiazol-2-amine
SMILESCC(C)(C)Nc1nc(-c2cc(Cl)ccc2Cl)cs1
InChIInChI=1S/C13H14Cl2N2S/c1-13(2,3)17-12-16-11(7-18-12)9-6-8(14)4-5-10(9)15/h4-7H,1-3H3,(H,16,17)
InChIKeyYYYAHKTZOOUCOH-UHFFFAOYSA-N
MW301.24 g/mol
LogP5.33
Rot. Bonds2

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

N-tert-butyl-4-(2,5-dichlorophenyl)-1,3-thiazol-2-amine (PubChem CID 2507086) has the molecular formula C13H14Cl2N2S and a molecular weight of 301.24 g/mol. Its IUPAC name is N-tert-butyl-4-(2,5-dichlorophenyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-tert-butyl-4-(2,5-dichlorophenyl)-1,3-thiazol-2-amine
PubChem CID2507086
Molecular FormulaC13H14Cl2N2S
Molecular Weight301.24 g/mol
Exact Mass300.03
IUPAC NameN-tert-butyl-4-(2,5-dichlorophenyl)-1,3-thiazol-2-amine
SMILESCC(C)(C)Nc1nc(-c2cc(Cl)ccc2Cl)cs1
InChIInChI=1S/C13H14Cl2N2S/c1-13(2,3)17-12-16-11(7-18-12)9-6-8(14)4-5-10(9)15/h4-7H,1-3H3,(H,16,17)
InChIKeyYYYAHKTZOOUCOH-UHFFFAOYSA-N
XLogP5.33
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500301.24
LogP ≤ 55.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-4-(2,5-dichlorophenyl)-1,3-thiazol-2-amine?
The IUPAC name of N-tert-butyl-4-(2,5-dichlorophenyl)-1,3-thiazol-2-amine (CID 2507086) is N-tert-butyl-4-(2,5-dichlorophenyl)-1,3-thiazol-2-amine.
What is the SMILES notation for N-tert-butyl-4-(2,5-dichlorophenyl)-1,3-thiazol-2-amine?
The canonical SMILES for N-tert-butyl-4-(2,5-dichlorophenyl)-1,3-thiazol-2-amine is CC(C)(C)Nc1nc(-c2cc(Cl)ccc2Cl)cs1.
What is the InChIKey of N-tert-butyl-4-(2,5-dichlorophenyl)-1,3-thiazol-2-amine?
The InChIKey is YYYAHKTZOOUCOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14Cl2N2S/c1-13(2,3)17-12-16-11(7-18-12)9-6-8(14)4-5-10(9)15/h4-7H,1-3H3,(H,16,17).
What are the key properties of N-tert-butyl-4-(2,5-dichlorophenyl)-1,3-thiazol-2-amine?
N-tert-butyl-4-(2,5-dichlorophenyl)-1,3-thiazol-2-amine has a molecular weight of 301.24 g/mol, XLogP of 5.33, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-4-(2,5-dichlorophenyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 2507086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).