4-bromo-2-(4-propylazepan-1-yl)-1,3-thiazole

C12H19BrN2S — CID 79398816

IUPAC4-bromo-2-(4-propylazepan-1-yl)-1,3-thiazole
SMILESCCCC1CCCN(c2nc(Br)cs2)CC1
InChIInChI=1S/C12H19BrN2S/c1-2-4-10-5-3-7-15(8-6-10)12-14-11(13)9-16-12/h9-10H,2-8H2,1H3
InChIKeyROLHDMNDBIBPFI-UHFFFAOYSA-N
MW303.27 g/mol
LogP4.31
Rot. Bonds3

About 4-bromo-2-(4-propylazepan-1-yl)-1,3-thiazole

4-bromo-2-(4-propylazepan-1-yl)-1,3-thiazole (PubChem CID 79398816) has the molecular formula C12H19BrN2S and a molecular weight of 303.27 g/mol. Its IUPAC name is 4-bromo-2-(4-propylazepan-1-yl)-1,3-thiazole.

Molecular Properties

Compound Name4-bromo-2-(4-propylazepan-1-yl)-1,3-thiazole
PubChem CID79398816
Molecular FormulaC12H19BrN2S
Molecular Weight303.27 g/mol
Exact Mass302.05
IUPAC Name4-bromo-2-(4-propylazepan-1-yl)-1,3-thiazole
SMILESCCCC1CCCN(c2nc(Br)cs2)CC1
InChIInChI=1S/C12H19BrN2S/c1-2-4-10-5-3-7-15(8-6-10)12-14-11(13)9-16-12/h9-10H,2-8H2,1H3
InChIKeyROLHDMNDBIBPFI-UHFFFAOYSA-N
XLogP4.31
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.27
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-2-(4-propylpiperidin-1-yl)-1,3-thiazole
CID 83155979
[1-(4-bromo-1,3-thiazol-2-yl)piperidin-4-yl]methanamine
CID 79400151
1-(4-bromo-1,3-thiazol-2-yl)-N,N-dimethylpiperidin-4-amine
CID 79400008
1-[2-(4-ethylazepan-1-yl)-1,3-thiazol-4-yl]ethanol
CID 64542379
[4-chloro-2-(4-propylazepan-1-yl)-1,3-thiazol-5-yl]methanol
CID 80692314
1-(4-bromo-1,3-thiazol-2-yl)-N,N-dimethylpiperidin-3-amine
CID 79398821
4-chloro-2-(4-propylazepan-1-yl)-1,3-thiazole-5-carbaldehyde
CID 80687435
methyl 2-[2-(4-propylpiperidin-1-yl)-1,3-thiazol-4-yl]acetate
CID 80576933
1-[2-(4-ethylazepan-1-yl)-1,3-thiazol-4-yl]ethanamine
CID 64543181
2-(4-bromoazepan-1-yl)-4-ethyl-1,3-thiazole
CID 130978942
ethyl 2-(4-ethylazepan-1-yl)-1,3-thiazole-4-carboxylate
CID 80569559
4-propyl-1-(3,5,6-trichloro-2-pyridinyl)azepane
CID 102751213

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-(4-propylazepan-1-yl)-1,3-thiazole?
The IUPAC name of 4-bromo-2-(4-propylazepan-1-yl)-1,3-thiazole (CID 79398816) is 4-bromo-2-(4-propylazepan-1-yl)-1,3-thiazole.
What is the SMILES notation for 4-bromo-2-(4-propylazepan-1-yl)-1,3-thiazole?
The canonical SMILES for 4-bromo-2-(4-propylazepan-1-yl)-1,3-thiazole is CCCC1CCCN(c2nc(Br)cs2)CC1.
What is the InChIKey of 4-bromo-2-(4-propylazepan-1-yl)-1,3-thiazole?
The InChIKey is ROLHDMNDBIBPFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19BrN2S/c1-2-4-10-5-3-7-15(8-6-10)12-14-11(13)9-16-12/h9-10H,2-8H2,1H3.
What are the key properties of 4-bromo-2-(4-propylazepan-1-yl)-1,3-thiazole?
4-bromo-2-(4-propylazepan-1-yl)-1,3-thiazole has a molecular weight of 303.27 g/mol, XLogP of 4.31, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-(4-propylazepan-1-yl)-1,3-thiazole is sourced from PubChem (CID 79398816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).