5-pentan-3-yl-1,2-thiazole

C8H13NS — CID 170709273

IUPAC5-pentan-3-yl-1,2-thiazole
SMILESCCC(CC)c1ccns1
InChIInChI=1S/C8H13NS/c1-3-7(4-2)8-5-6-9-10-8/h5-7H,3-4H2,1-2H3
InChIKeyMKXVFUJCFAVTRF-UHFFFAOYSA-N
MW155.27 g/mol
LogP3.05
Rot. Bonds3

About 5-pentan-3-yl-1,2-thiazole

5-pentan-3-yl-1,2-thiazole (PubChem CID 170709273) has the molecular formula C8H13NS and a molecular weight of 155.27 g/mol. Its IUPAC name is 5-pentan-3-yl-1,2-thiazole.

Molecular Properties

Compound Name5-pentan-3-yl-1,2-thiazole
PubChem CID170709273
Molecular FormulaC8H13NS
Molecular Weight155.27 g/mol
Exact Mass155.08
IUPAC Name5-pentan-3-yl-1,2-thiazole
SMILESCCC(CC)c1ccns1
InChIInChI=1S/C8H13NS/c1-3-7(4-2)8-5-6-9-10-8/h5-7H,3-4H2,1-2H3
InChIKeyMKXVFUJCFAVTRF-UHFFFAOYSA-N
XLogP3.05
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.27
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-Ethylisothiazole
CID 23552425
5-(1,1-Difluoro-2,2-dimethylpropyl)-1,2-thiazole
CID 154618326
5-(1,1-Difluoro-2,2-dimethylbutyl)-1,2-thiazole
CID 154677558
Isothiazole, 5-methyl-4-propyl-
CID 5324802
4-Butyl-5-methyl-1,2-thiazole
CID 12339564
1-Fluoro-2-methyl-1-(1,2-thiazol-5-yl)propan-2-amine
CID 131001011
3-Fluoro-3-(1,2-thiazol-5-yl)butan-2-amine
CID 131002474
4-Fluoro-2-methyl-4-(1,2-thiazol-5-yl)butan-2-amine
CID 131062598
3-Fluoro-2-methyl-3-(1,2-thiazol-5-yl)propan-1-amine
CID 131081467
5-(2-Methylpropyl)-1,2-thiazole
CID 12339566
5-(6-Bromohexyl)-1,2-thiazole
CID 19828357
5-(3-Bromopropyl)-1,2-thiazole
CID 19828376

Frequently Asked Questions

What is the IUPAC name of 5-pentan-3-yl-1,2-thiazole?
The IUPAC name of 5-pentan-3-yl-1,2-thiazole (CID 170709273) is 5-pentan-3-yl-1,2-thiazole.
What is the SMILES notation for 5-pentan-3-yl-1,2-thiazole?
The canonical SMILES for 5-pentan-3-yl-1,2-thiazole is CCC(CC)c1ccns1.
What is the InChIKey of 5-pentan-3-yl-1,2-thiazole?
The InChIKey is MKXVFUJCFAVTRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NS/c1-3-7(4-2)8-5-6-9-10-8/h5-7H,3-4H2,1-2H3.
What are the key properties of 5-pentan-3-yl-1,2-thiazole?
5-pentan-3-yl-1,2-thiazole has a molecular weight of 155.27 g/mol, XLogP of 3.05, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-pentan-3-yl-1,2-thiazole is sourced from PubChem (CID 170709273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).