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

C6H9NS — CID 23570577

IUPAC5-propan-2-yl-1,2-thiazole
SMILESCC(C)c1ccns1
InChIInChI=1S/C6H9NS/c1-5(2)6-3-4-7-8-6/h3-5H,1-2H3
InChIKeyWQHKPJGEPSIORA-UHFFFAOYSA-N
MW127.21 g/mol
LogP2.27
Rot. Bonds1

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

5-propan-2-yl-1,2-thiazole (PubChem CID 23570577) has the molecular formula C6H9NS and a molecular weight of 127.21 g/mol. Its IUPAC name is 5-propan-2-yl-1,2-thiazole.

Molecular Properties

Compound Name5-propan-2-yl-1,2-thiazole
PubChem CID23570577
Molecular FormulaC6H9NS
Molecular Weight127.21 g/mol
Exact Mass127.05
IUPAC Name5-propan-2-yl-1,2-thiazole
SMILESCC(C)c1ccns1
InChIInChI=1S/C6H9NS/c1-5(2)6-3-4-7-8-6/h3-5H,1-2H3
InChIKeyWQHKPJGEPSIORA-UHFFFAOYSA-N
XLogP2.27
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.21
LogP ≤ 52.27
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
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
InChI=1/C6H9NS/c1-3-6-5(2)4-7-8-6/h4H,3H2,1-2H
CID 5323907
Isothiazole, 5-methyl-4-propyl-
CID 5324802
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
3-Fluoro-3-(1,2-thiazol-5-yl)butan-2-amine
CID 131002474

Frequently Asked Questions

What is the IUPAC name of 5-propan-2-yl-1,2-thiazole?
The IUPAC name of 5-propan-2-yl-1,2-thiazole (CID 23570577) is 5-propan-2-yl-1,2-thiazole.
What is the SMILES notation for 5-propan-2-yl-1,2-thiazole?
The canonical SMILES for 5-propan-2-yl-1,2-thiazole is CC(C)c1ccns1.
What is the InChIKey of 5-propan-2-yl-1,2-thiazole?
The InChIKey is WQHKPJGEPSIORA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9NS/c1-5(2)6-3-4-7-8-6/h3-5H,1-2H3.
What are the key properties of 5-propan-2-yl-1,2-thiazole?
5-propan-2-yl-1,2-thiazole has a molecular weight of 127.21 g/mol, XLogP of 2.27, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-propan-2-yl-1,2-thiazole is sourced from PubChem (CID 23570577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).