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

C8H13BrN2S — CID 69115311

IUPAC5-(5-bromo-1,3-thiazol-2-yl)pentan-1-amine
SMILESNCCCCCc1ncc(Br)s1
InChIInChI=1S/C8H13BrN2S/c9-7-6-11-8(12-7)4-2-1-3-5-10/h6H,1-5,10H2
InChIKeyAHSVRNSCIMXQFG-UHFFFAOYSA-N
MW249.18 g/mol
LogP2.58
Rot. Bonds5

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

5-(5-bromo-1,3-thiazol-2-yl)pentan-1-amine (PubChem CID 69115311) has the molecular formula C8H13BrN2S and a molecular weight of 249.18 g/mol. Its IUPAC name is 5-(5-bromo-1,3-thiazol-2-yl)pentan-1-amine.

Molecular Properties

Compound Name5-(5-bromo-1,3-thiazol-2-yl)pentan-1-amine
PubChem CID69115311
Molecular FormulaC8H13BrN2S
Molecular Weight249.18 g/mol
Exact Mass248.00
IUPAC Name5-(5-bromo-1,3-thiazol-2-yl)pentan-1-amine
SMILESNCCCCCc1ncc(Br)s1
InChIInChI=1S/C8H13BrN2S/c9-7-6-11-8(12-7)4-2-1-3-5-10/h6H,1-5,10H2
InChIKeyAHSVRNSCIMXQFG-UHFFFAOYSA-N
XLogP2.58
TPSA38.91 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 ≤ 52.58
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

5-Bromo-2-cyclohexyl-1,3-thiazole
CID 45787622
4-(5-Bromo-1,3-thiazol-2-yl)piperidine
CID 45788819
4-(1,3-Thiazol-2-yl)butan-1-amine dihydrochloride
CID 50988426
2-(5-Bromo-1,3-thiazol-2-yl)ethan-1-amine dihydrochloride
CID 177799252
4-(1,3-Thiazol-2-yl)butan-1-amine
CID 17931257
(1R)-1-(5-bromo-1,3-thiazol-2-yl)ethanamine hydrochloride
CID 68156351
4-(5-bromo-1,3-thiazol-2-yl)-N-fluorocyclohexan-1-amine
CID 175270337
3-Fluoro-4-(1,3-thiazol-2-yl)butan-1-amine
CID 104277011
N-[1-(5-bromo-1,3-thiazol-2-yl)ethyl]-3-fluoropropan-1-amine
CID 115894735
2-(5-Bromo-1,3-thiazol-2-yl)-2-fluoroethan-1-amine
CID 165650554
3-(5-Bromo-1,3-thiazol-2-yl)-3-fluoropropan-1-amine
CID 165713916
2-(5-Bromo-1,3-thiazol-2-yl)-3,3,3-trifluoropropan-1-amine
CID 165751377

Frequently Asked Questions

What is the IUPAC name of 5-(5-bromo-1,3-thiazol-2-yl)pentan-1-amine?
The IUPAC name of 5-(5-bromo-1,3-thiazol-2-yl)pentan-1-amine (CID 69115311) is 5-(5-bromo-1,3-thiazol-2-yl)pentan-1-amine.
What is the SMILES notation for 5-(5-bromo-1,3-thiazol-2-yl)pentan-1-amine?
The canonical SMILES for 5-(5-bromo-1,3-thiazol-2-yl)pentan-1-amine is NCCCCCc1ncc(Br)s1.
What is the InChIKey of 5-(5-bromo-1,3-thiazol-2-yl)pentan-1-amine?
The InChIKey is AHSVRNSCIMXQFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13BrN2S/c9-7-6-11-8(12-7)4-2-1-3-5-10/h6H,1-5,10H2.
What are the key properties of 5-(5-bromo-1,3-thiazol-2-yl)pentan-1-amine?
5-(5-bromo-1,3-thiazol-2-yl)pentan-1-amine has a molecular weight of 249.18 g/mol, XLogP of 2.58, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-bromo-1,3-thiazol-2-yl)pentan-1-amine is sourced from PubChem (CID 69115311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).