4-bromo-N-(2,3,3-trimethylbutan-2-yl)-1,3-thiazol-2-amine

C10H17BrN2S — CID 130692959

IUPAC4-bromo-N-(2,3,3-trimethylbutan-2-yl)-1,3-thiazol-2-amine
SMILESCC(C)(C)C(C)(C)Nc1nc(Br)cs1
InChIInChI=1S/C10H17BrN2S/c1-9(2,3)10(4,5)13-8-12-7(11)6-14-8/h6H,1-5H3,(H,12,13)
InChIKeyNULJIXIBCUDVBA-UHFFFAOYSA-N
MW277.23 g/mol
LogP4.14
Rot. Bonds2

About 4-bromo-N-(2,3,3-trimethylbutan-2-yl)-1,3-thiazol-2-amine

4-bromo-N-(2,3,3-trimethylbutan-2-yl)-1,3-thiazol-2-amine (PubChem CID 130692959) has the molecular formula C10H17BrN2S and a molecular weight of 277.23 g/mol. Its IUPAC name is 4-bromo-N-(2,3,3-trimethylbutan-2-yl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-bromo-N-(2,3,3-trimethylbutan-2-yl)-1,3-thiazol-2-amine
PubChem CID130692959
Molecular FormulaC10H17BrN2S
Molecular Weight277.23 g/mol
Exact Mass276.03
IUPAC Name4-bromo-N-(2,3,3-trimethylbutan-2-yl)-1,3-thiazol-2-amine
SMILESCC(C)(C)C(C)(C)Nc1nc(Br)cs1
InChIInChI=1S/C10H17BrN2S/c1-9(2,3)10(4,5)13-8-12-7(11)6-14-8/h6H,1-5H3,(H,12,13)
InChIKeyNULJIXIBCUDVBA-UHFFFAOYSA-N
XLogP4.14
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.23
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(2,3,3-trimethylbutan-2-yl)-1,3-thiazol-2-amine?
The IUPAC name of 4-bromo-N-(2,3,3-trimethylbutan-2-yl)-1,3-thiazol-2-amine (CID 130692959) is 4-bromo-N-(2,3,3-trimethylbutan-2-yl)-1,3-thiazol-2-amine.
What is the SMILES notation for 4-bromo-N-(2,3,3-trimethylbutan-2-yl)-1,3-thiazol-2-amine?
The canonical SMILES for 4-bromo-N-(2,3,3-trimethylbutan-2-yl)-1,3-thiazol-2-amine is CC(C)(C)C(C)(C)Nc1nc(Br)cs1.
What is the InChIKey of 4-bromo-N-(2,3,3-trimethylbutan-2-yl)-1,3-thiazol-2-amine?
The InChIKey is NULJIXIBCUDVBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17BrN2S/c1-9(2,3)10(4,5)13-8-12-7(11)6-14-8/h6H,1-5H3,(H,12,13).
What are the key properties of 4-bromo-N-(2,3,3-trimethylbutan-2-yl)-1,3-thiazol-2-amine?
4-bromo-N-(2,3,3-trimethylbutan-2-yl)-1,3-thiazol-2-amine has a molecular weight of 277.23 g/mol, XLogP of 4.14, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(2,3,3-trimethylbutan-2-yl)-1,3-thiazol-2-amine is sourced from PubChem (CID 130692959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).