ethane;5-propan-2-yl-1,2-thiazole

C8H15NS — CID 159756343

IUPACethane;5-propan-2-yl-1,2-thiazole
SMILESCC.CC(C)c1ccns1
InChIInChI=1S/C6H9NS.C2H6/c1-5(2)6-3-4-7-8-6;1-2/h3-5H,1-2H3;1-2H3
InChIKeyNEHSOQZCGVXKRU-UHFFFAOYSA-N
MW157.28 g/mol
LogP3.29
Rot. Bonds1

About ethane;5-propan-2-yl-1,2-thiazole

ethane;5-propan-2-yl-1,2-thiazole (PubChem CID 159756343) has the molecular formula C8H15NS and a molecular weight of 157.28 g/mol. Its IUPAC name is ethane;5-propan-2-yl-1,2-thiazole.

Molecular Properties

Compound Nameethane;5-propan-2-yl-1,2-thiazole
PubChem CID159756343
Molecular FormulaC8H15NS
Molecular Weight157.28 g/mol
Exact Mass157.09
IUPAC Nameethane;5-propan-2-yl-1,2-thiazole
SMILESCC.CC(C)c1ccns1
InChIInChI=1S/C6H9NS.C2H6/c1-5(2)6-3-4-7-8-6;1-2/h3-5H,1-2H3;1-2H3
InChIKeyNEHSOQZCGVXKRU-UHFFFAOYSA-N
XLogP3.29
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.28
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(1,2-Thiazol-5-yl)ethan-1-amine hydrochloride
CID 126796216
5-Ethylisothiazole
CID 23552425
2-(1,2-Thiazol-5-yl)ethan-1-amine
CID 55254312
5-(1,1-Difluoro-2,2-dimethylpropyl)-1,2-thiazole
CID 154618326
5-(1,1-Difluoro-2,2-dimethylbutyl)-1,2-thiazole
CID 154677558
InChI=1/C6H9NS/c1-3-6-5(2)4-7-8-6/h4H,3H2,1-2H
CID 5323907
1-(1,2-Thiazol-5-yl)ethan-1-amine
CID 82418738
1-Fluoro-2-methyl-1-(1,2-thiazol-5-yl)propan-2-amine
CID 131001011
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

Frequently Asked Questions

What is the IUPAC name of ethane;5-propan-2-yl-1,2-thiazole?
The IUPAC name of ethane;5-propan-2-yl-1,2-thiazole (CID 159756343) is ethane;5-propan-2-yl-1,2-thiazole.
What is the SMILES notation for ethane;5-propan-2-yl-1,2-thiazole?
The canonical SMILES for ethane;5-propan-2-yl-1,2-thiazole is CC.CC(C)c1ccns1.
What is the InChIKey of ethane;5-propan-2-yl-1,2-thiazole?
The InChIKey is NEHSOQZCGVXKRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9NS.C2H6/c1-5(2)6-3-4-7-8-6;1-2/h3-5H,1-2H3;1-2H3.
What are the key properties of ethane;5-propan-2-yl-1,2-thiazole?
ethane;5-propan-2-yl-1,2-thiazole has a molecular weight of 157.28 g/mol, XLogP of 3.29, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;5-propan-2-yl-1,2-thiazole is sourced from PubChem (CID 159756343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).