5-bromo-2-ethyl-4-propyl-1,3-thiazole

C8H12BrNS — CID 130153388

IUPAC5-bromo-2-ethyl-4-propyl-1,3-thiazole
SMILESCCCc1nc(CC)sc1Br
InChIInChI=1S/C8H12BrNS/c1-3-5-6-8(9)11-7(4-2)10-6/h3-5H2,1-2H3
InChIKeyHKKCQJCDZAZTSZ-UHFFFAOYSA-N
MW234.16 g/mol
LogP3.42
Rot. Bonds3

About 5-bromo-2-ethyl-4-propyl-1,3-thiazole

5-bromo-2-ethyl-4-propyl-1,3-thiazole (PubChem CID 130153388) has the molecular formula C8H12BrNS and a molecular weight of 234.16 g/mol. Its IUPAC name is 5-bromo-2-ethyl-4-propyl-1,3-thiazole.

Molecular Properties

Compound Name5-bromo-2-ethyl-4-propyl-1,3-thiazole
PubChem CID130153388
Molecular FormulaC8H12BrNS
Molecular Weight234.16 g/mol
Exact Mass232.99
IUPAC Name5-bromo-2-ethyl-4-propyl-1,3-thiazole
SMILESCCCc1nc(CC)sc1Br
InChIInChI=1S/C8H12BrNS/c1-3-5-6-8(9)11-7(4-2)10-6/h3-5H2,1-2H3
InChIKeyHKKCQJCDZAZTSZ-UHFFFAOYSA-N
XLogP3.42
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.16
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-ethyl-4-propyl-1,3-thiazole-5-carbonitrile
CID 82431269
4,5-diethyl-2-propyl-1,3-thiazole
CID 150030476
5-(2-ethyl-4-propyl-1,3-thiazol-5-yl)-N-propyl-1,3,4-thiadiazol-2-amine
CID 82431302
N-[(2-ethyl-4-propyl-1,3-thiazol-5-yl)methyl]-2-methoxyethanamine
CID 82431279
N-butan-2-yl-5-(2-ethyl-4-propyl-1,3-thiazol-5-yl)-1,3,4-thiadiazol-2-amine
CID 82431304
2-bromo-4-propyl-1,3-thiazole-5-carboxylic acid
CID 13015610
2-(4-bromo-2-ethyl-1,3-thiazol-5-yl)ethanamine
CID 83824283
5-ethyl-2-methyl-4-propyl-1,3-thiazole
CID 588155
1-(2,4-diethyl-1,3-thiazol-5-yl)ethanamine
CID 82428207
N-[[2-ethyl-4-(2-methylpropyl)-1,3-thiazol-5-yl]methyl]ethanamine
CID 114368564
2-(2,4-dipropyl-1,3-thiazol-5-yl)acetic acid
CID 82431548
2-ethyl-4-(2-ethylsulfanylethyl)-1,3-thiazol-5-amine
CID 116504995

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-ethyl-4-propyl-1,3-thiazole?
The IUPAC name of 5-bromo-2-ethyl-4-propyl-1,3-thiazole (CID 130153388) is 5-bromo-2-ethyl-4-propyl-1,3-thiazole.
What is the SMILES notation for 5-bromo-2-ethyl-4-propyl-1,3-thiazole?
The canonical SMILES for 5-bromo-2-ethyl-4-propyl-1,3-thiazole is CCCc1nc(CC)sc1Br.
What is the InChIKey of 5-bromo-2-ethyl-4-propyl-1,3-thiazole?
The InChIKey is HKKCQJCDZAZTSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12BrNS/c1-3-5-6-8(9)11-7(4-2)10-6/h3-5H2,1-2H3.
What are the key properties of 5-bromo-2-ethyl-4-propyl-1,3-thiazole?
5-bromo-2-ethyl-4-propyl-1,3-thiazole has a molecular weight of 234.16 g/mol, XLogP of 3.42, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-ethyl-4-propyl-1,3-thiazole is sourced from PubChem (CID 130153388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).