6-ethyl-6-propyl-4H-pyrrolo[3,2-d][1,3]thiazol-5-one

C10H14N2OS — CID 142026087

IUPAC6-ethyl-6-propyl-4H-pyrrolo[3,2-d][1,3]thiazol-5-one
SMILESCCCC1(CC)C(=O)Nc2scnc21
InChIInChI=1S/C10H14N2OS/c1-3-5-10(4-2)7-8(12-9(10)13)14-6-11-7/h6H,3-5H2,1-2H3,(H,12,13)
InChIKeyGJXUKIKBAIRKDI-UHFFFAOYSA-N
MW210.30 g/mol
LogP2.54
Rot. Bonds3

About 6-ethyl-6-propyl-4H-pyrrolo[3,2-d][1,3]thiazol-5-one

6-ethyl-6-propyl-4H-pyrrolo[3,2-d][1,3]thiazol-5-one (PubChem CID 142026087) has the molecular formula C10H14N2OS and a molecular weight of 210.30 g/mol. Its IUPAC name is 6-ethyl-6-propyl-4H-pyrrolo[3,2-d][1,3]thiazol-5-one.

Molecular Properties

Compound Name6-ethyl-6-propyl-4H-pyrrolo[3,2-d][1,3]thiazol-5-one
PubChem CID142026087
Molecular FormulaC10H14N2OS
Molecular Weight210.30 g/mol
Exact Mass210.08
IUPAC Name6-ethyl-6-propyl-4H-pyrrolo[3,2-d][1,3]thiazol-5-one
SMILESCCCC1(CC)C(=O)Nc2scnc21
InChIInChI=1S/C10H14N2OS/c1-3-5-10(4-2)7-8(12-9(10)13)14-6-11-7/h6H,3-5H2,1-2H3,(H,12,13)
InChIKeyGJXUKIKBAIRKDI-UHFFFAOYSA-N
XLogP2.54
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.30
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-ethyl-6-propyl-4H-pyrrolo[3,2-d][1,3]thiazol-5-one?
The IUPAC name of 6-ethyl-6-propyl-4H-pyrrolo[3,2-d][1,3]thiazol-5-one (CID 142026087) is 6-ethyl-6-propyl-4H-pyrrolo[3,2-d][1,3]thiazol-5-one.
What is the SMILES notation for 6-ethyl-6-propyl-4H-pyrrolo[3,2-d][1,3]thiazol-5-one?
The canonical SMILES for 6-ethyl-6-propyl-4H-pyrrolo[3,2-d][1,3]thiazol-5-one is CCCC1(CC)C(=O)Nc2scnc21.
What is the InChIKey of 6-ethyl-6-propyl-4H-pyrrolo[3,2-d][1,3]thiazol-5-one?
The InChIKey is GJXUKIKBAIRKDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2OS/c1-3-5-10(4-2)7-8(12-9(10)13)14-6-11-7/h6H,3-5H2,1-2H3,(H,12,13).
What are the key properties of 6-ethyl-6-propyl-4H-pyrrolo[3,2-d][1,3]thiazol-5-one?
6-ethyl-6-propyl-4H-pyrrolo[3,2-d][1,3]thiazol-5-one has a molecular weight of 210.30 g/mol, XLogP of 2.54, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-6-propyl-4H-pyrrolo[3,2-d][1,3]thiazol-5-one is sourced from PubChem (CID 142026087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).