2-(2-ethyl-2,3-dihydrothiophen-5-yl)-4,5-dihydro-1,3-thiazole

C9H13NS2 — CID 89272394

IUPAC2-(2-ethyl-2,3-dihydrothiophen-5-yl)-4,5-dihydro-1,3-thiazole
SMILESCCC1CC=C(C2=NCCS2)S1
InChIInChI=1S/C9H13NS2/c1-2-7-3-4-8(12-7)9-10-5-6-11-9/h4,7H,2-3,5-6H2,1H3
InChIKeyBHSAHGQCRSUAPU-UHFFFAOYSA-N
MW199.34 g/mol
LogP2.93
Rot. Bonds2

About 2-(2-ethyl-2,3-dihydrothiophen-5-yl)-4,5-dihydro-1,3-thiazole

2-(2-ethyl-2,3-dihydrothiophen-5-yl)-4,5-dihydro-1,3-thiazole (PubChem CID 89272394) has the molecular formula C9H13NS2 and a molecular weight of 199.34 g/mol. Its IUPAC name is 2-(2-ethyl-2,3-dihydrothiophen-5-yl)-4,5-dihydro-1,3-thiazole.

Molecular Properties

Compound Name2-(2-ethyl-2,3-dihydrothiophen-5-yl)-4,5-dihydro-1,3-thiazole
PubChem CID89272394
Molecular FormulaC9H13NS2
Molecular Weight199.34 g/mol
Exact Mass199.05
IUPAC Name2-(2-ethyl-2,3-dihydrothiophen-5-yl)-4,5-dihydro-1,3-thiazole
SMILESCCC1CC=C(C2=NCCS2)S1
InChIInChI=1S/C9H13NS2/c1-2-7-3-4-8(12-7)9-10-5-6-11-9/h4,7H,2-3,5-6H2,1H3
InChIKeyBHSAHGQCRSUAPU-UHFFFAOYSA-N
XLogP2.93
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.34
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-ethyl-2,3-dihydrothiophen-5-yl)-4,5-dihydro-1,3-thiazole?
The IUPAC name of 2-(2-ethyl-2,3-dihydrothiophen-5-yl)-4,5-dihydro-1,3-thiazole (CID 89272394) is 2-(2-ethyl-2,3-dihydrothiophen-5-yl)-4,5-dihydro-1,3-thiazole.
What is the SMILES notation for 2-(2-ethyl-2,3-dihydrothiophen-5-yl)-4,5-dihydro-1,3-thiazole?
The canonical SMILES for 2-(2-ethyl-2,3-dihydrothiophen-5-yl)-4,5-dihydro-1,3-thiazole is CCC1CC=C(C2=NCCS2)S1.
What is the InChIKey of 2-(2-ethyl-2,3-dihydrothiophen-5-yl)-4,5-dihydro-1,3-thiazole?
The InChIKey is BHSAHGQCRSUAPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NS2/c1-2-7-3-4-8(12-7)9-10-5-6-11-9/h4,7H,2-3,5-6H2,1H3.
What are the key properties of 2-(2-ethyl-2,3-dihydrothiophen-5-yl)-4,5-dihydro-1,3-thiazole?
2-(2-ethyl-2,3-dihydrothiophen-5-yl)-4,5-dihydro-1,3-thiazole has a molecular weight of 199.34 g/mol, XLogP of 2.93, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethyl-2,3-dihydrothiophen-5-yl)-4,5-dihydro-1,3-thiazole is sourced from PubChem (CID 89272394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).