1-(5-iodo-1,3-thiazol-2-yl)butan-1-amine

C7H11IN2S — CID 66220876

IUPAC1-(5-iodo-1,3-thiazol-2-yl)butan-1-amine
SMILESCCCC(N)c1ncc(I)s1
InChIInChI=1S/C7H11IN2S/c1-2-3-5(9)7-10-4-6(8)11-7/h4-5H,2-3,9H2,1H3
InChIKeyREMPYSXKMWHQTA-UHFFFAOYSA-N
MW282.15 g/mol
LogP2.55
Rot. Bonds3

About 1-(5-iodo-1,3-thiazol-2-yl)butan-1-amine

1-(5-iodo-1,3-thiazol-2-yl)butan-1-amine (PubChem CID 66220876) has the molecular formula C7H11IN2S and a molecular weight of 282.15 g/mol. Its IUPAC name is 1-(5-iodo-1,3-thiazol-2-yl)butan-1-amine.

Molecular Properties

Compound Name1-(5-iodo-1,3-thiazol-2-yl)butan-1-amine
PubChem CID66220876
Molecular FormulaC7H11IN2S
Molecular Weight282.15 g/mol
Exact Mass281.97
IUPAC Name1-(5-iodo-1,3-thiazol-2-yl)butan-1-amine
SMILESCCCC(N)c1ncc(I)s1
InChIInChI=1S/C7H11IN2S/c1-2-3-5(9)7-10-4-6(8)11-7/h4-5H,2-3,9H2,1H3
InChIKeyREMPYSXKMWHQTA-UHFFFAOYSA-N
XLogP2.55
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.15
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(5-iodo-1,3-thiazol-2-yl)butan-1-amine?
The IUPAC name of 1-(5-iodo-1,3-thiazol-2-yl)butan-1-amine (CID 66220876) is 1-(5-iodo-1,3-thiazol-2-yl)butan-1-amine.
What is the SMILES notation for 1-(5-iodo-1,3-thiazol-2-yl)butan-1-amine?
The canonical SMILES for 1-(5-iodo-1,3-thiazol-2-yl)butan-1-amine is CCCC(N)c1ncc(I)s1.
What is the InChIKey of 1-(5-iodo-1,3-thiazol-2-yl)butan-1-amine?
The InChIKey is REMPYSXKMWHQTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11IN2S/c1-2-3-5(9)7-10-4-6(8)11-7/h4-5H,2-3,9H2,1H3.
What are the key properties of 1-(5-iodo-1,3-thiazol-2-yl)butan-1-amine?
1-(5-iodo-1,3-thiazol-2-yl)butan-1-amine has a molecular weight of 282.15 g/mol, XLogP of 2.55, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-iodo-1,3-thiazol-2-yl)butan-1-amine is sourced from PubChem (CID 66220876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).