3-propyl-1,2-thiazole

C6H9NS — CID 14343600

IUPAC3-propyl-1,2-thiazole
SMILESCCCc1ccsn1
InChIInChI=1S/C6H9NS/c1-2-3-6-4-5-8-7-6/h4-5H,2-3H2,1H3
InChIKeyRFUDHDKITZQODL-UHFFFAOYSA-N
MW127.21 g/mol
LogP2.10
Rot. Bonds2

About 3-propyl-1,2-thiazole

3-propyl-1,2-thiazole (PubChem CID 14343600) has the molecular formula C6H9NS and a molecular weight of 127.21 g/mol. Its IUPAC name is 3-propyl-1,2-thiazole.

Molecular Properties

Compound Name3-propyl-1,2-thiazole
PubChem CID14343600
Molecular FormulaC6H9NS
Molecular Weight127.21 g/mol
Exact Mass127.05
IUPAC Name3-propyl-1,2-thiazole
SMILESCCCc1ccsn1
InChIInChI=1S/C6H9NS/c1-2-3-6-4-5-8-7-6/h4-5H,2-3H2,1H3
InChIKeyRFUDHDKITZQODL-UHFFFAOYSA-N
XLogP2.10
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.21
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-propyl-1,2-thiazole?
The IUPAC name of 3-propyl-1,2-thiazole (CID 14343600) is 3-propyl-1,2-thiazole.
What is the SMILES notation for 3-propyl-1,2-thiazole?
The canonical SMILES for 3-propyl-1,2-thiazole is CCCc1ccsn1.
What is the InChIKey of 3-propyl-1,2-thiazole?
The InChIKey is RFUDHDKITZQODL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9NS/c1-2-3-6-4-5-8-7-6/h4-5H,2-3H2,1H3.
What are the key properties of 3-propyl-1,2-thiazole?
3-propyl-1,2-thiazole has a molecular weight of 127.21 g/mol, XLogP of 2.10, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propyl-1,2-thiazole is sourced from PubChem (CID 14343600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).