5-butyl-1,2-thiazole

C7H11NS — CID 147218273

IUPAC5-butyl-1,2-thiazole
SMILESCCCCc1ccns1
InChIInChI=1S/C7H11NS/c1-2-3-4-7-5-6-8-9-7/h5-6H,2-4H2,1H3
InChIKeyCGNYVWLEPZQHJM-UHFFFAOYSA-N
MW141.24 g/mol
LogP2.49
Rot. Bonds3

About 5-butyl-1,2-thiazole

5-butyl-1,2-thiazole (PubChem CID 147218273) has the molecular formula C7H11NS and a molecular weight of 141.24 g/mol. Its IUPAC name is 5-butyl-1,2-thiazole.

Molecular Properties

Compound Name5-butyl-1,2-thiazole
PubChem CID147218273
Molecular FormulaC7H11NS
Molecular Weight141.24 g/mol
Exact Mass141.06
IUPAC Name5-butyl-1,2-thiazole
SMILESCCCCc1ccns1
InChIInChI=1S/C7H11NS/c1-2-3-4-7-5-6-8-9-7/h5-6H,2-4H2,1H3
InChIKeyCGNYVWLEPZQHJM-UHFFFAOYSA-N
XLogP2.49
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.24
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-butyl-1,2-thiazole?
The IUPAC name of 5-butyl-1,2-thiazole (CID 147218273) is 5-butyl-1,2-thiazole.
What is the SMILES notation for 5-butyl-1,2-thiazole?
The canonical SMILES for 5-butyl-1,2-thiazole is CCCCc1ccns1.
What is the InChIKey of 5-butyl-1,2-thiazole?
The InChIKey is CGNYVWLEPZQHJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NS/c1-2-3-4-7-5-6-8-9-7/h5-6H,2-4H2,1H3.
What are the key properties of 5-butyl-1,2-thiazole?
5-butyl-1,2-thiazole has a molecular weight of 141.24 g/mol, XLogP of 2.49, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butyl-1,2-thiazole is sourced from PubChem (CID 147218273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).