ethane;5-propyl-1,2-thiazole

C8H15NS — CID 177016512

IUPACethane;5-propyl-1,2-thiazole
SMILESCC.CCCc1ccns1
InChIInChI=1S/C6H9NS.C2H6/c1-2-3-6-4-5-7-8-6;1-2/h4-5H,2-3H2,1H3;1-2H3
InChIKeyWNLISXYGRNAFQK-UHFFFAOYSA-N
MW157.28 g/mol
LogP3.12
Rot. Bonds2

About ethane;5-propyl-1,2-thiazole

ethane;5-propyl-1,2-thiazole (PubChem CID 177016512) has the molecular formula C8H15NS and a molecular weight of 157.28 g/mol. Its IUPAC name is ethane;5-propyl-1,2-thiazole.

Molecular Properties

Compound Nameethane;5-propyl-1,2-thiazole
PubChem CID177016512
Molecular FormulaC8H15NS
Molecular Weight157.28 g/mol
Exact Mass157.09
IUPAC Nameethane;5-propyl-1,2-thiazole
SMILESCC.CCCc1ccns1
InChIInChI=1S/C6H9NS.C2H6/c1-2-3-6-4-5-7-8-6;1-2/h4-5H,2-3H2,1H3;1-2H3
InChIKeyWNLISXYGRNAFQK-UHFFFAOYSA-N
XLogP3.12
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.28
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-(2-Pyrrolidin-1-ylethyl)-1,2-thiazole
CID 44456451
5-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]-1,2-thiazole
CID 44456446
5-[2-[(2S)-2-methylpyrrolidin-1-yl]ethyl]-1,2-thiazole
CID 44456449
5-Methylisothiazole
CID 136500
2-(1,2-Thiazol-5-yl)ethan-1-amine hydrochloride
CID 126796216
1-(1,2-Thiazol-5-yl)ethan-1-amine dihydrochloride
CID 126807686
1-(1,2-Thiazol-5-yl)ethan-1-amine hydrochloride
CID 134691063
5-Ethylisothiazole
CID 23552425
2-(1,2-Thiazol-5-yl)ethan-1-amine
CID 55254312
5-(1,1,2,2,2-Pentafluoroethyl)-1,2-thiazole
CID 153457622
5-(1,1-Difluoro-2,2-dimethylpropyl)-1,2-thiazole
CID 154618326
5-(1,1-Difluoro-2,2-dimethylbutyl)-1,2-thiazole
CID 154677558

Frequently Asked Questions

What is the IUPAC name of ethane;5-propyl-1,2-thiazole?
The IUPAC name of ethane;5-propyl-1,2-thiazole (CID 177016512) is ethane;5-propyl-1,2-thiazole.
What is the SMILES notation for ethane;5-propyl-1,2-thiazole?
The canonical SMILES for ethane;5-propyl-1,2-thiazole is CC.CCCc1ccns1.
What is the InChIKey of ethane;5-propyl-1,2-thiazole?
The InChIKey is WNLISXYGRNAFQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9NS.C2H6/c1-2-3-6-4-5-7-8-6;1-2/h4-5H,2-3H2,1H3;1-2H3.
What are the key properties of ethane;5-propyl-1,2-thiazole?
ethane;5-propyl-1,2-thiazole has a molecular weight of 157.28 g/mol, XLogP of 3.12, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;5-propyl-1,2-thiazole is sourced from PubChem (CID 177016512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).