1-(5-bromo-1,3-thiazol-4-yl)-2-methylpropan-2-amine

C7H11BrN2S — CID 23553551

IUPAC1-(5-bromo-1,3-thiazol-4-yl)-2-methylpropan-2-amine
SMILESCC(C)(N)Cc1ncsc1Br
InChIInChI=1S/C7H11BrN2S/c1-7(2,9)3-5-6(8)11-4-10-5/h4H,3,9H2,1-2H3
InChIKeySMFSCUDNHNXSHI-UHFFFAOYSA-N
MW235.15 g/mol
LogP2.19
Rot. Bonds2

About 1-(5-bromo-1,3-thiazol-4-yl)-2-methylpropan-2-amine

1-(5-bromo-1,3-thiazol-4-yl)-2-methylpropan-2-amine (PubChem CID 23553551) has the molecular formula C7H11BrN2S and a molecular weight of 235.15 g/mol. Its IUPAC name is 1-(5-bromo-1,3-thiazol-4-yl)-2-methylpropan-2-amine.

Molecular Properties

Compound Name1-(5-bromo-1,3-thiazol-4-yl)-2-methylpropan-2-amine
PubChem CID23553551
Molecular FormulaC7H11BrN2S
Molecular Weight235.15 g/mol
Exact Mass233.98
IUPAC Name1-(5-bromo-1,3-thiazol-4-yl)-2-methylpropan-2-amine
SMILESCC(C)(N)Cc1ncsc1Br
InChIInChI=1S/C7H11BrN2S/c1-7(2,9)3-5-6(8)11-4-10-5/h4H,3,9H2,1-2H3
InChIKeySMFSCUDNHNXSHI-UHFFFAOYSA-N
XLogP2.19
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.15
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-1,3-thiazol-4-yl)-2-methylpropan-2-amine?
The IUPAC name of 1-(5-bromo-1,3-thiazol-4-yl)-2-methylpropan-2-amine (CID 23553551) is 1-(5-bromo-1,3-thiazol-4-yl)-2-methylpropan-2-amine.
What is the SMILES notation for 1-(5-bromo-1,3-thiazol-4-yl)-2-methylpropan-2-amine?
The canonical SMILES for 1-(5-bromo-1,3-thiazol-4-yl)-2-methylpropan-2-amine is CC(C)(N)Cc1ncsc1Br.
What is the InChIKey of 1-(5-bromo-1,3-thiazol-4-yl)-2-methylpropan-2-amine?
The InChIKey is SMFSCUDNHNXSHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11BrN2S/c1-7(2,9)3-5-6(8)11-4-10-5/h4H,3,9H2,1-2H3.
What are the key properties of 1-(5-bromo-1,3-thiazol-4-yl)-2-methylpropan-2-amine?
1-(5-bromo-1,3-thiazol-4-yl)-2-methylpropan-2-amine has a molecular weight of 235.15 g/mol, XLogP of 2.19, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-1,3-thiazol-4-yl)-2-methylpropan-2-amine is sourced from PubChem (CID 23553551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).