2-(azepan-1-yl)-5-bromo-4-methyl-1,3-thiazole

C10H15BrN2S — CID 83558280

IUPAC2-(azepan-1-yl)-5-bromo-4-methyl-1,3-thiazole
SMILESCc1nc(N2CCCCCC2)sc1Br
InChIInChI=1S/C10H15BrN2S/c1-8-9(11)14-10(12-8)13-6-4-2-3-5-7-13/h2-7H2,1H3
InChIKeyYIXADODLUOFLFK-UHFFFAOYSA-N
MW275.21 g/mol
LogP3.59
Rot. Bonds1

About 2-(azepan-1-yl)-5-bromo-4-methyl-1,3-thiazole

2-(azepan-1-yl)-5-bromo-4-methyl-1,3-thiazole (PubChem CID 83558280) has the molecular formula C10H15BrN2S and a molecular weight of 275.21 g/mol. Its IUPAC name is 2-(azepan-1-yl)-5-bromo-4-methyl-1,3-thiazole.

Molecular Properties

Compound Name2-(azepan-1-yl)-5-bromo-4-methyl-1,3-thiazole
PubChem CID83558280
Molecular FormulaC10H15BrN2S
Molecular Weight275.21 g/mol
Exact Mass274.01
IUPAC Name2-(azepan-1-yl)-5-bromo-4-methyl-1,3-thiazole
SMILESCc1nc(N2CCCCCC2)sc1Br
InChIInChI=1S/C10H15BrN2S/c1-8-9(11)14-10(12-8)13-6-4-2-3-5-7-13/h2-7H2,1H3
InChIKeyYIXADODLUOFLFK-UHFFFAOYSA-N
XLogP3.59
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.21
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-(bromomethyl)-4-methyl-2-pyrrolidin-1-yl-1,3-thiazole
CID 82427860
(4-methyl-2-piperidin-1-yl-1,3-thiazol-5-yl)methanamine
CID 46785718
1-[2-(azepan-1-yl)-4-methyl-1,3-thiazol-5-yl]ethanol
CID 62752785
2-(4-methyl-2-pyrrolidin-1-yl-1,3-thiazol-5-yl)propan-2-amine
CID 82427864
5-methyl-2-piperidin-1-yl-1,3-thiazol-4-amine
CID 83108734
N-[(4-methyl-2-piperidin-1-yl-1,3-thiazol-5-yl)methyl]ethanamine
CID 46785724
methyl 2-(azocan-1-yl)-4-methyl-1,3-thiazole-5-carboxylate
CID 80570330
3-(4-methyl-2-piperidin-1-yl-1,3-thiazol-5-yl)prop-2-en-1-amine
CID 76996795
2,6-di(piperidin-1-yl)-1,3,5-thiadiazin-4-one
CID 15063235
1-[2-(azocan-1-yl)-4-methyl-1,3-thiazol-5-yl]-N-ethylethanamine
CID 62750411
N-[[2-(azocan-1-yl)-4-methyl-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 55117264
5-[2-(azepan-1-yl)-4-methyl-1,3-thiazol-5-yl]-1,2-dihydro-1,2,4-triazole-3-thione
CID 82428026

Frequently Asked Questions

What is the IUPAC name of 2-(azepan-1-yl)-5-bromo-4-methyl-1,3-thiazole?
The IUPAC name of 2-(azepan-1-yl)-5-bromo-4-methyl-1,3-thiazole (CID 83558280) is 2-(azepan-1-yl)-5-bromo-4-methyl-1,3-thiazole.
What is the SMILES notation for 2-(azepan-1-yl)-5-bromo-4-methyl-1,3-thiazole?
The canonical SMILES for 2-(azepan-1-yl)-5-bromo-4-methyl-1,3-thiazole is Cc1nc(N2CCCCCC2)sc1Br.
What is the InChIKey of 2-(azepan-1-yl)-5-bromo-4-methyl-1,3-thiazole?
The InChIKey is YIXADODLUOFLFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15BrN2S/c1-8-9(11)14-10(12-8)13-6-4-2-3-5-7-13/h2-7H2,1H3.
What are the key properties of 2-(azepan-1-yl)-5-bromo-4-methyl-1,3-thiazole?
2-(azepan-1-yl)-5-bromo-4-methyl-1,3-thiazole has a molecular weight of 275.21 g/mol, XLogP of 3.59, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azepan-1-yl)-5-bromo-4-methyl-1,3-thiazole is sourced from PubChem (CID 83558280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).