4-bromo-N-propan-2-yl-1,3-thiazol-2-amine

C6H9BrN2S — CID 58584132

IUPAC4-bromo-N-propan-2-yl-1,3-thiazol-2-amine
SMILESCC(C)Nc1nc(Br)cs1
InChIInChI=1S/C6H9BrN2S/c1-4(2)8-6-9-5(7)3-10-6/h3-4H,1-2H3,(H,8,9)
InChIKeyBBMIJYAPXYETDL-UHFFFAOYSA-N
MW221.12 g/mol
LogP2.73
Rot. Bonds2

About 4-bromo-N-propan-2-yl-1,3-thiazol-2-amine

4-bromo-N-propan-2-yl-1,3-thiazol-2-amine (PubChem CID 58584132) has the molecular formula C6H9BrN2S and a molecular weight of 221.12 g/mol. Its IUPAC name is 4-bromo-N-propan-2-yl-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-bromo-N-propan-2-yl-1,3-thiazol-2-amine
PubChem CID58584132
Molecular FormulaC6H9BrN2S
Molecular Weight221.12 g/mol
Exact Mass219.97
IUPAC Name4-bromo-N-propan-2-yl-1,3-thiazol-2-amine
SMILESCC(C)Nc1nc(Br)cs1
InChIInChI=1S/C6H9BrN2S/c1-4(2)8-6-9-5(7)3-10-6/h3-4H,1-2H3,(H,8,9)
InChIKeyBBMIJYAPXYETDL-UHFFFAOYSA-N
XLogP2.73
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.12
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-propan-2-yl-1,3-thiazol-2-amine?
The IUPAC name of 4-bromo-N-propan-2-yl-1,3-thiazol-2-amine (CID 58584132) is 4-bromo-N-propan-2-yl-1,3-thiazol-2-amine.
What is the SMILES notation for 4-bromo-N-propan-2-yl-1,3-thiazol-2-amine?
The canonical SMILES for 4-bromo-N-propan-2-yl-1,3-thiazol-2-amine is CC(C)Nc1nc(Br)cs1.
What is the InChIKey of 4-bromo-N-propan-2-yl-1,3-thiazol-2-amine?
The InChIKey is BBMIJYAPXYETDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9BrN2S/c1-4(2)8-6-9-5(7)3-10-6/h3-4H,1-2H3,(H,8,9).
What are the key properties of 4-bromo-N-propan-2-yl-1,3-thiazol-2-amine?
4-bromo-N-propan-2-yl-1,3-thiazol-2-amine has a molecular weight of 221.12 g/mol, XLogP of 2.73, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-propan-2-yl-1,3-thiazol-2-amine is sourced from PubChem (CID 58584132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).