2-propyl-5H-1,2-thiazole

C6H11NS — CID 19991375

IUPAC2-propyl-5H-1,2-thiazole
SMILESCCCN1C=CCS1
InChIInChI=1S/C6H11NS/c1-2-4-7-5-3-6-8-7/h3,5H,2,4,6H2,1H3
InChIKeyTVFQHGQVJYVERO-UHFFFAOYSA-N
MW129.23 g/mol
LogP1.87
Rot. Bonds2

About 2-propyl-5H-1,2-thiazole

2-propyl-5H-1,2-thiazole (PubChem CID 19991375) has the molecular formula C6H11NS and a molecular weight of 129.23 g/mol. Its IUPAC name is 2-propyl-5H-1,2-thiazole.

Molecular Properties

Compound Name2-propyl-5H-1,2-thiazole
PubChem CID19991375
Molecular FormulaC6H11NS
Molecular Weight129.23 g/mol
Exact Mass129.06
IUPAC Name2-propyl-5H-1,2-thiazole
SMILESCCCN1C=CCS1
InChIInChI=1S/C6H11NS/c1-2-4-7-5-3-6-8-7/h3,5H,2,4,6H2,1H3
InChIKeyTVFQHGQVJYVERO-UHFFFAOYSA-N
XLogP1.87
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.23
LogP ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulphur_nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-propyl-5H-1,2-thiazole?
The IUPAC name of 2-propyl-5H-1,2-thiazole (CID 19991375) is 2-propyl-5H-1,2-thiazole.
What is the SMILES notation for 2-propyl-5H-1,2-thiazole?
The canonical SMILES for 2-propyl-5H-1,2-thiazole is CCCN1C=CCS1.
What is the InChIKey of 2-propyl-5H-1,2-thiazole?
The InChIKey is TVFQHGQVJYVERO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NS/c1-2-4-7-5-3-6-8-7/h3,5H,2,4,6H2,1H3.
What are the key properties of 2-propyl-5H-1,2-thiazole?
2-propyl-5H-1,2-thiazole has a molecular weight of 129.23 g/mol, XLogP of 1.87, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propyl-5H-1,2-thiazole is sourced from PubChem (CID 19991375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).