N-(2,6-dichloro-4-fluorophenyl)-4-ethyl-4-methyl-5H-1,3-thiazol-2-amine

C12H13Cl2FN2S — CID 83077986

IUPACN-(2,6-dichloro-4-fluorophenyl)-4-ethyl-4-methyl-5H-1,3-thiazol-2-amine
SMILESCCC1(C)CSC(Nc2c(Cl)cc(F)cc2Cl)=N1
InChIInChI=1S/C12H13Cl2FN2S/c1-3-12(2)6-18-11(17-12)16-10-8(13)4-7(15)5-9(10)14/h4-5H,3,6H2,1-2H3,(H,16,17)
InChIKeyBSQSZGSFGWBXBK-UHFFFAOYSA-N
MW307.22 g/mol
LogP4.82
Rot. Bonds2

About N-(2,6-dichloro-4-fluorophenyl)-4-ethyl-4-methyl-5H-1,3-thiazol-2-amine

N-(2,6-dichloro-4-fluorophenyl)-4-ethyl-4-methyl-5H-1,3-thiazol-2-amine (PubChem CID 83077986) has the molecular formula C12H13Cl2FN2S and a molecular weight of 307.22 g/mol. Its IUPAC name is N-(2,6-dichloro-4-fluorophenyl)-4-ethyl-4-methyl-5H-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-(2,6-dichloro-4-fluorophenyl)-4-ethyl-4-methyl-5H-1,3-thiazol-2-amine
PubChem CID83077986
Molecular FormulaC12H13Cl2FN2S
Molecular Weight307.22 g/mol
Exact Mass306.02
IUPAC NameN-(2,6-dichloro-4-fluorophenyl)-4-ethyl-4-methyl-5H-1,3-thiazol-2-amine
SMILESCCC1(C)CSC(Nc2c(Cl)cc(F)cc2Cl)=N1
InChIInChI=1S/C12H13Cl2FN2S/c1-3-12(2)6-18-11(17-12)16-10-8(13)4-7(15)5-9(10)14/h4-5H,3,6H2,1-2H3,(H,16,17)
InChIKeyBSQSZGSFGWBXBK-UHFFFAOYSA-N
XLogP4.82
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.22
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2,6-dichloro-4-fluorophenyl)-4-ethyl-4-methyl-5H-1,3-thiazol-2-amine?
The IUPAC name of N-(2,6-dichloro-4-fluorophenyl)-4-ethyl-4-methyl-5H-1,3-thiazol-2-amine (CID 83077986) is N-(2,6-dichloro-4-fluorophenyl)-4-ethyl-4-methyl-5H-1,3-thiazol-2-amine.
What is the SMILES notation for N-(2,6-dichloro-4-fluorophenyl)-4-ethyl-4-methyl-5H-1,3-thiazol-2-amine?
The canonical SMILES for N-(2,6-dichloro-4-fluorophenyl)-4-ethyl-4-methyl-5H-1,3-thiazol-2-amine is CCC1(C)CSC(Nc2c(Cl)cc(F)cc2Cl)=N1.
What is the InChIKey of N-(2,6-dichloro-4-fluorophenyl)-4-ethyl-4-methyl-5H-1,3-thiazol-2-amine?
The InChIKey is BSQSZGSFGWBXBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13Cl2FN2S/c1-3-12(2)6-18-11(17-12)16-10-8(13)4-7(15)5-9(10)14/h4-5H,3,6H2,1-2H3,(H,16,17).
What are the key properties of N-(2,6-dichloro-4-fluorophenyl)-4-ethyl-4-methyl-5H-1,3-thiazol-2-amine?
N-(2,6-dichloro-4-fluorophenyl)-4-ethyl-4-methyl-5H-1,3-thiazol-2-amine has a molecular weight of 307.22 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 N-(2,6-dichloro-4-fluorophenyl)-4-ethyl-4-methyl-5H-1,3-thiazol-2-amine is sourced from PubChem (CID 83077986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).