5-propan-2-yl-4,5-dihydro-1,3-thiazole

C6H11NS — CID 88985873

IUPAC5-propan-2-yl-4,5-dihydro-1,3-thiazole
SMILESCC(C)C1CN=CS1
InChIInChI=1S/C6H11NS/c1-5(2)6-3-7-4-8-6/h4-6H,3H2,1-2H3
InChIKeyANHJJEIIBZHINW-UHFFFAOYSA-N
MW129.23 g/mol
LogP1.79
Rot. Bonds1

About 5-propan-2-yl-4,5-dihydro-1,3-thiazole

5-propan-2-yl-4,5-dihydro-1,3-thiazole (PubChem CID 88985873) has the molecular formula C6H11NS and a molecular weight of 129.23 g/mol. Its IUPAC name is 5-propan-2-yl-4,5-dihydro-1,3-thiazole.

Molecular Properties

Compound Name5-propan-2-yl-4,5-dihydro-1,3-thiazole
PubChem CID88985873
Molecular FormulaC6H11NS
Molecular Weight129.23 g/mol
Exact Mass129.06
IUPAC Name5-propan-2-yl-4,5-dihydro-1,3-thiazole
SMILESCC(C)C1CN=CS1
InChIInChI=1S/C6H11NS/c1-5(2)6-3-7-4-8-6/h4-6H,3H2,1-2H3
InChIKeyANHJJEIIBZHINW-UHFFFAOYSA-N
XLogP1.79
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.23
LogP ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-propan-2-yl-4,5-dihydro-1,3-thiazole?
The IUPAC name of 5-propan-2-yl-4,5-dihydro-1,3-thiazole (CID 88985873) is 5-propan-2-yl-4,5-dihydro-1,3-thiazole.
What is the SMILES notation for 5-propan-2-yl-4,5-dihydro-1,3-thiazole?
The canonical SMILES for 5-propan-2-yl-4,5-dihydro-1,3-thiazole is CC(C)C1CN=CS1.
What is the InChIKey of 5-propan-2-yl-4,5-dihydro-1,3-thiazole?
The InChIKey is ANHJJEIIBZHINW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NS/c1-5(2)6-3-7-4-8-6/h4-6H,3H2,1-2H3.
What are the key properties of 5-propan-2-yl-4,5-dihydro-1,3-thiazole?
5-propan-2-yl-4,5-dihydro-1,3-thiazole has a molecular weight of 129.23 g/mol, XLogP of 1.79, 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-4,5-dihydro-1,3-thiazole is sourced from PubChem (CID 88985873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).