4-bromo-N-ethyl-N-(2-methylbutyl)-1,3-thiazol-2-amine

C10H17BrN2S — CID 79470964

IUPAC4-bromo-N-ethyl-N-(2-methylbutyl)-1,3-thiazol-2-amine
SMILESCCC(C)CN(CC)c1nc(Br)cs1
InChIInChI=1S/C10H17BrN2S/c1-4-8(3)6-13(5-2)10-12-9(11)7-14-10/h7-8H,4-6H2,1-3H3
InChIKeyRWKSJAKMWHRHON-UHFFFAOYSA-N
MW277.23 g/mol
LogP3.78
Rot. Bonds5

About 4-bromo-N-ethyl-N-(2-methylbutyl)-1,3-thiazol-2-amine

4-bromo-N-ethyl-N-(2-methylbutyl)-1,3-thiazol-2-amine (PubChem CID 79470964) has the molecular formula C10H17BrN2S and a molecular weight of 277.23 g/mol. Its IUPAC name is 4-bromo-N-ethyl-N-(2-methylbutyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-bromo-N-ethyl-N-(2-methylbutyl)-1,3-thiazol-2-amine
PubChem CID79470964
Molecular FormulaC10H17BrN2S
Molecular Weight277.23 g/mol
Exact Mass276.03
IUPAC Name4-bromo-N-ethyl-N-(2-methylbutyl)-1,3-thiazol-2-amine
SMILESCCC(C)CN(CC)c1nc(Br)cs1
InChIInChI=1S/C10H17BrN2S/c1-4-8(3)6-13(5-2)10-12-9(11)7-14-10/h7-8H,4-6H2,1-3H3
InChIKeyRWKSJAKMWHRHON-UHFFFAOYSA-N
XLogP3.78
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.23
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-ethyl-N-(2-methylbutyl)-1,3-thiazol-2-amine?
The IUPAC name of 4-bromo-N-ethyl-N-(2-methylbutyl)-1,3-thiazol-2-amine (CID 79470964) is 4-bromo-N-ethyl-N-(2-methylbutyl)-1,3-thiazol-2-amine.
What is the SMILES notation for 4-bromo-N-ethyl-N-(2-methylbutyl)-1,3-thiazol-2-amine?
The canonical SMILES for 4-bromo-N-ethyl-N-(2-methylbutyl)-1,3-thiazol-2-amine is CCC(C)CN(CC)c1nc(Br)cs1.
What is the InChIKey of 4-bromo-N-ethyl-N-(2-methylbutyl)-1,3-thiazol-2-amine?
The InChIKey is RWKSJAKMWHRHON-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17BrN2S/c1-4-8(3)6-13(5-2)10-12-9(11)7-14-10/h7-8H,4-6H2,1-3H3.
What are the key properties of 4-bromo-N-ethyl-N-(2-methylbutyl)-1,3-thiazol-2-amine?
4-bromo-N-ethyl-N-(2-methylbutyl)-1,3-thiazol-2-amine has a molecular weight of 277.23 g/mol, XLogP of 3.78, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-ethyl-N-(2-methylbutyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 79470964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).