5-bromo-N-heptyl-N-[2-(1,3-thiazol-4-yl)ethyl]pyridin-2-amine

C17H24BrN3S — CID 141142072

IUPAC5-bromo-N-heptyl-N-[2-(1,3-thiazol-4-yl)ethyl]pyridin-2-amine
SMILESCCCCCCCN(CCc1cscn1)c1ccc(Br)cn1
InChIInChI=1S/C17H24BrN3S/c1-2-3-4-5-6-10-21(11-9-16-13-22-14-20-16)17-8-7-15(18)12-19-17/h7-8,12-14H,2-6,9-11H2,1H3
InChIKeyOSHZUFYETWHIBO-UHFFFAOYSA-N
MW382.37 g/mol
LogP5.32
Rot. Bonds10

About 5-bromo-N-heptyl-N-[2-(1,3-thiazol-4-yl)ethyl]pyridin-2-amine

5-bromo-N-heptyl-N-[2-(1,3-thiazol-4-yl)ethyl]pyridin-2-amine (PubChem CID 141142072) has the molecular formula C17H24BrN3S and a molecular weight of 382.37 g/mol. Its IUPAC name is 5-bromo-N-heptyl-N-[2-(1,3-thiazol-4-yl)ethyl]pyridin-2-amine.

Molecular Properties

Compound Name5-bromo-N-heptyl-N-[2-(1,3-thiazol-4-yl)ethyl]pyridin-2-amine
PubChem CID141142072
Molecular FormulaC17H24BrN3S
Molecular Weight382.37 g/mol
Exact Mass381.09
IUPAC Name5-bromo-N-heptyl-N-[2-(1,3-thiazol-4-yl)ethyl]pyridin-2-amine
SMILESCCCCCCCN(CCc1cscn1)c1ccc(Br)cn1
InChIInChI=1S/C17H24BrN3S/c1-2-3-4-5-6-10-21(11-9-16-13-22-14-20-16)17-8-7-15(18)12-19-17/h7-8,12-14H,2-6,9-11H2,1H3
InChIKeyOSHZUFYETWHIBO-UHFFFAOYSA-N
XLogP5.32
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.37
LogP ≤ 55.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-heptyl-N-[2-(1,3-thiazol-4-yl)ethyl]pyridin-4-amine
CID 174528641
5-bromo-N-(2-bromoethyl)-N-butylpyridin-2-amine
CID 80669398
2-[[4-[2-[(5-bromo-2-pyridinyl)-heptylamino]ethyl]-1,3-thiazol-2-yl]sulfanyl]-2-methylpropanoic acid
CID 59759234
N'-(5-bromo-2-pyridinyl)-N'-butylethane-1,2-diamine
CID 62587985
4-heptyl-1,3-thiazole;octane
CID 91422595
6-chloro-N-heptyl-N-[2-(1,3-thiazol-4-yl)ethyl]-1,3-benzothiazol-2-amine
CID 174528643
3-[(5-bromo-2-pyridinyl)-(2-hydroxyethyl)amino]propan-1-ol
CID 133346518
5-bromo-N-(2-chloroethyl)-N-ethylpyridin-2-amine
CID 63392030
5-N-(4-tert-butylphenyl)-2-N,2-N-dihexylpyridine-2,5-diamine
CID 146305639
N'-(5-bromo-2-pyridinyl)-N'-ethyl-N-iodo-N-methylethane-1,2-diamine
CID 165394201
5-bromo-N,N-bis(2-methylpropyl)pyridin-2-amine
CID 63463815
4-(2-bromohexyl)-1,3-thiazole
CID 174586492

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-heptyl-N-[2-(1,3-thiazol-4-yl)ethyl]pyridin-2-amine?
The IUPAC name of 5-bromo-N-heptyl-N-[2-(1,3-thiazol-4-yl)ethyl]pyridin-2-amine (CID 141142072) is 5-bromo-N-heptyl-N-[2-(1,3-thiazol-4-yl)ethyl]pyridin-2-amine.
What is the SMILES notation for 5-bromo-N-heptyl-N-[2-(1,3-thiazol-4-yl)ethyl]pyridin-2-amine?
The canonical SMILES for 5-bromo-N-heptyl-N-[2-(1,3-thiazol-4-yl)ethyl]pyridin-2-amine is CCCCCCCN(CCc1cscn1)c1ccc(Br)cn1.
What is the InChIKey of 5-bromo-N-heptyl-N-[2-(1,3-thiazol-4-yl)ethyl]pyridin-2-amine?
The InChIKey is OSHZUFYETWHIBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24BrN3S/c1-2-3-4-5-6-10-21(11-9-16-13-22-14-20-16)17-8-7-15(18)12-19-17/h7-8,12-14H,2-6,9-11H2,1H3.
What are the key properties of 5-bromo-N-heptyl-N-[2-(1,3-thiazol-4-yl)ethyl]pyridin-2-amine?
5-bromo-N-heptyl-N-[2-(1,3-thiazol-4-yl)ethyl]pyridin-2-amine has a molecular weight of 382.37 g/mol, XLogP of 5.32, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-heptyl-N-[2-(1,3-thiazol-4-yl)ethyl]pyridin-2-amine is sourced from PubChem (CID 141142072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).