2-(4,5-dihydro-1,3-thiazol-2-yl)-1-thiophen-2-ylethanone

C9H9NOS2 — CID 2805461

IUPAC2-(4,5-dihydro-1,3-thiazol-2-yl)-1-thiophen-2-ylethanone
SMILESO=C(CC1=NCCS1)c1cccs1
InChIInChI=1S/C9H9NOS2/c11-7(8-2-1-4-12-8)6-9-10-3-5-13-9/h1-2,4H,3,5-6H2
InChIKeyGRNLVUIKHUJKJG-UHFFFAOYSA-N
MW211.31 g/mol
LogP2.47
Rot. Bonds3

About 2-(4,5-dihydro-1,3-thiazol-2-yl)-1-thiophen-2-ylethanone

2-(4,5-dihydro-1,3-thiazol-2-yl)-1-thiophen-2-ylethanone (PubChem CID 2805461) has the molecular formula C9H9NOS2 and a molecular weight of 211.31 g/mol. Its IUPAC name is 2-(4,5-dihydro-1,3-thiazol-2-yl)-1-thiophen-2-ylethanone.

Molecular Properties

Compound Name2-(4,5-dihydro-1,3-thiazol-2-yl)-1-thiophen-2-ylethanone
PubChem CID2805461
Molecular FormulaC9H9NOS2
Molecular Weight211.31 g/mol
Exact Mass211.01
IUPAC Name2-(4,5-dihydro-1,3-thiazol-2-yl)-1-thiophen-2-ylethanone
SMILESO=C(CC1=NCCS1)c1cccs1
InChIInChI=1S/C9H9NOS2/c11-7(8-2-1-4-12-8)6-9-10-3-5-13-9/h1-2,4H,3,5-6H2
InChIKeyGRNLVUIKHUJKJG-UHFFFAOYSA-N
XLogP2.47
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.31
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4,5-dihydro-1,3-thiazol-2-yl)-1-thiophen-2-ylethanone?
The IUPAC name of 2-(4,5-dihydro-1,3-thiazol-2-yl)-1-thiophen-2-ylethanone (CID 2805461) is 2-(4,5-dihydro-1,3-thiazol-2-yl)-1-thiophen-2-ylethanone.
What is the SMILES notation for 2-(4,5-dihydro-1,3-thiazol-2-yl)-1-thiophen-2-ylethanone?
The canonical SMILES for 2-(4,5-dihydro-1,3-thiazol-2-yl)-1-thiophen-2-ylethanone is O=C(CC1=NCCS1)c1cccs1.
What is the InChIKey of 2-(4,5-dihydro-1,3-thiazol-2-yl)-1-thiophen-2-ylethanone?
The InChIKey is GRNLVUIKHUJKJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9NOS2/c11-7(8-2-1-4-12-8)6-9-10-3-5-13-9/h1-2,4H,3,5-6H2.
What are the key properties of 2-(4,5-dihydro-1,3-thiazol-2-yl)-1-thiophen-2-ylethanone?
2-(4,5-dihydro-1,3-thiazol-2-yl)-1-thiophen-2-ylethanone has a molecular weight of 211.31 g/mol, XLogP of 2.47, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,5-dihydro-1,3-thiazol-2-yl)-1-thiophen-2-ylethanone is sourced from PubChem (CID 2805461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).