2-bromo-N-pentyl-1,3-thiazol-4-amine

C8H13BrN2S — CID 70578274

IUPAC2-bromo-N-pentyl-1,3-thiazol-4-amine
SMILESCCCCCNc1csc(Br)n1
InChIInChI=1S/C8H13BrN2S/c1-2-3-4-5-10-7-6-12-8(9)11-7/h6,10H,2-5H2,1H3
InChIKeyYLHYNQWDUWMGFP-UHFFFAOYSA-N
MW249.18 g/mol
LogP3.51
Rot. Bonds5

About 2-bromo-N-pentyl-1,3-thiazol-4-amine

2-bromo-N-pentyl-1,3-thiazol-4-amine (PubChem CID 70578274) has the molecular formula C8H13BrN2S and a molecular weight of 249.18 g/mol. Its IUPAC name is 2-bromo-N-pentyl-1,3-thiazol-4-amine.

Molecular Properties

Compound Name2-bromo-N-pentyl-1,3-thiazol-4-amine
PubChem CID70578274
Molecular FormulaC8H13BrN2S
Molecular Weight249.18 g/mol
Exact Mass248.00
IUPAC Name2-bromo-N-pentyl-1,3-thiazol-4-amine
SMILESCCCCCNc1csc(Br)n1
InChIInChI=1S/C8H13BrN2S/c1-2-3-4-5-10-7-6-12-8(9)11-7/h6,10H,2-5H2,1H3
InChIKeyYLHYNQWDUWMGFP-UHFFFAOYSA-N
XLogP3.51
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.18
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

CID 17490804
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CID 17490803
CID 17490803
CID 129795213
CID 129795213
CID 115520618
CID 115520618
CID 127004580
CID 127004580
CID 130650570
CID 130650570
CID 130654011
CID 130654011
CID 17958027
CID 17958027
CID 33747526
CID 33747526
CID 45121856
CID 45121856
CID 53987538
CID 53987538
CID 56986236
CID 56986236

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-pentyl-1,3-thiazol-4-amine?
The IUPAC name of 2-bromo-N-pentyl-1,3-thiazol-4-amine (CID 70578274) is 2-bromo-N-pentyl-1,3-thiazol-4-amine.
What is the SMILES notation for 2-bromo-N-pentyl-1,3-thiazol-4-amine?
The canonical SMILES for 2-bromo-N-pentyl-1,3-thiazol-4-amine is CCCCCNc1csc(Br)n1.
What is the InChIKey of 2-bromo-N-pentyl-1,3-thiazol-4-amine?
The InChIKey is YLHYNQWDUWMGFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13BrN2S/c1-2-3-4-5-10-7-6-12-8(9)11-7/h6,10H,2-5H2,1H3.
What are the key properties of 2-bromo-N-pentyl-1,3-thiazol-4-amine?
2-bromo-N-pentyl-1,3-thiazol-4-amine has a molecular weight of 249.18 g/mol, XLogP of 3.51, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-pentyl-1,3-thiazol-4-amine is sourced from PubChem (CID 70578274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).