2-(7-bromoheptyl)-4-methyl-1,3-thiazole

C11H18BrNS — CID 71350357

IUPAC2-(7-bromoheptyl)-4-methyl-1,3-thiazole
SMILESCc1csc(CCCCCCCBr)n1
InChIInChI=1S/C11H18BrNS/c1-10-9-14-11(13-10)7-5-3-2-4-6-8-12/h9H,2-8H2,1H3
InChIKeyWVFKZFRDHAKQEK-UHFFFAOYSA-N
MW276.24 g/mol
LogP4.34
Rot. Bonds7

About 2-(7-bromoheptyl)-4-methyl-1,3-thiazole

2-(7-bromoheptyl)-4-methyl-1,3-thiazole (PubChem CID 71350357) has the molecular formula C11H18BrNS and a molecular weight of 276.24 g/mol. Its IUPAC name is 2-(7-bromoheptyl)-4-methyl-1,3-thiazole.

Molecular Properties

Compound Name2-(7-bromoheptyl)-4-methyl-1,3-thiazole
PubChem CID71350357
Molecular FormulaC11H18BrNS
Molecular Weight276.24 g/mol
Exact Mass275.03
IUPAC Name2-(7-bromoheptyl)-4-methyl-1,3-thiazole
SMILESCc1csc(CCCCCCCBr)n1
InChIInChI=1S/C11H18BrNS/c1-10-9-14-11(13-10)7-5-3-2-4-6-8-12/h9H,2-8H2,1H3
InChIKeyWVFKZFRDHAKQEK-UHFFFAOYSA-N
XLogP4.34
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.24
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-bromo-N-[(4-methyl-1,3-thiazol-2-yl)methyl]pentan-1-amine
CID 107320377
4-bromo-N-[(4-methyl-1,3-thiazol-2-yl)methyl]butan-1-amine
CID 106844765
2-[4-(4-methyl-1,3-thiazol-2-yl)butyl]guanidine
CID 110935335
2-(4-methyl-1,3-thiazol-2-yl)ethanol;hydrobromide
CID 154976464
2-(2-chloroethyl)-4-methyl-1,3-thiazole;hydrochloride
CID 67878325
ethane;(4-methyl-1,3-thiazol-2-yl)methanol
CID 144707130
4-methyl-2-(3-methylbutyl)-1,3-thiazole
CID 115641470
2-ethyl-4-methyl-1,3-thiazole
CID 27440
1,1,3,3-tetramethyl-2-[4-(4-methyl-1,3-thiazol-2-yl)butyl]guanidine;hydroiodide
CID 111098812
2-(4-methyl-1,3-thiazol-2-yl)ethylhydrazine
CID 105220758
1,3-diethyl-2-[4-(4-methyl-1,3-thiazol-2-yl)butyl]guanidine;hydroiodide
CID 110935338
azane;2-ethyl-4-methyl-1,3-thiazole
CID 69058661

Frequently Asked Questions

What is the IUPAC name of 2-(7-bromoheptyl)-4-methyl-1,3-thiazole?
The IUPAC name of 2-(7-bromoheptyl)-4-methyl-1,3-thiazole (CID 71350357) is 2-(7-bromoheptyl)-4-methyl-1,3-thiazole.
What is the SMILES notation for 2-(7-bromoheptyl)-4-methyl-1,3-thiazole?
The canonical SMILES for 2-(7-bromoheptyl)-4-methyl-1,3-thiazole is Cc1csc(CCCCCCCBr)n1.
What is the InChIKey of 2-(7-bromoheptyl)-4-methyl-1,3-thiazole?
The InChIKey is WVFKZFRDHAKQEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18BrNS/c1-10-9-14-11(13-10)7-5-3-2-4-6-8-12/h9H,2-8H2,1H3.
What are the key properties of 2-(7-bromoheptyl)-4-methyl-1,3-thiazole?
2-(7-bromoheptyl)-4-methyl-1,3-thiazole has a molecular weight of 276.24 g/mol, XLogP of 4.34, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-bromoheptyl)-4-methyl-1,3-thiazole is sourced from PubChem (CID 71350357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).