2-propyl-2,3-dihydro-1,3-thiazole

C6H11NS — CID 19974124

IUPAC2-propyl-2,3-dihydro-1,3-thiazole
SMILESCCCC1NC=CS1
InChIInChI=1S/C6H11NS/c1-2-3-6-7-4-5-8-6/h4-7H,2-3H2,1H3
InChIKeyIIQXUNZCRWAIOA-UHFFFAOYSA-N
MW129.23 g/mol
LogP1.92
Rot. Bonds2

About 2-propyl-2,3-dihydro-1,3-thiazole

2-propyl-2,3-dihydro-1,3-thiazole (PubChem CID 19974124) has the molecular formula C6H11NS and a molecular weight of 129.23 g/mol. Its IUPAC name is 2-propyl-2,3-dihydro-1,3-thiazole.

Molecular Properties

Compound Name2-propyl-2,3-dihydro-1,3-thiazole
PubChem CID19974124
Molecular FormulaC6H11NS
Molecular Weight129.23 g/mol
Exact Mass129.06
IUPAC Name2-propyl-2,3-dihydro-1,3-thiazole
SMILESCCCC1NC=CS1
InChIInChI=1S/C6H11NS/c1-2-3-6-7-4-5-8-6/h4-7H,2-3H2,1H3
InChIKeyIIQXUNZCRWAIOA-UHFFFAOYSA-N
XLogP1.92
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.23
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-propyl-2,3-dihydro-1,3-thiazole?
The IUPAC name of 2-propyl-2,3-dihydro-1,3-thiazole (CID 19974124) is 2-propyl-2,3-dihydro-1,3-thiazole.
What is the SMILES notation for 2-propyl-2,3-dihydro-1,3-thiazole?
The canonical SMILES for 2-propyl-2,3-dihydro-1,3-thiazole is CCCC1NC=CS1.
What is the InChIKey of 2-propyl-2,3-dihydro-1,3-thiazole?
The InChIKey is IIQXUNZCRWAIOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NS/c1-2-3-6-7-4-5-8-6/h4-7H,2-3H2,1H3.
What are the key properties of 2-propyl-2,3-dihydro-1,3-thiazole?
2-propyl-2,3-dihydro-1,3-thiazole has a molecular weight of 129.23 g/mol, XLogP of 1.92, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propyl-2,3-dihydro-1,3-thiazole is sourced from PubChem (CID 19974124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).