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

C8H15NS — CID 146609719

IUPAC2-ethyl-4-propan-2-yl-2,3-dihydro-1,3-thiazole
SMILESCCC1NC(C(C)C)=CS1
InChIInChI=1S/C8H15NS/c1-4-8-9-7(5-10-8)6(2)3/h5-6,8-9H,4H2,1-3H3
InChIKeyCUOFLZSCNJCTBL-UHFFFAOYSA-N
MW157.28 g/mol
LogP2.56
Rot. Bonds2

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

2-ethyl-4-propan-2-yl-2,3-dihydro-1,3-thiazole (PubChem CID 146609719) has the molecular formula C8H15NS and a molecular weight of 157.28 g/mol. Its IUPAC name is 2-ethyl-4-propan-2-yl-2,3-dihydro-1,3-thiazole.

Molecular Properties

Compound Name2-ethyl-4-propan-2-yl-2,3-dihydro-1,3-thiazole
PubChem CID146609719
Molecular FormulaC8H15NS
Molecular Weight157.28 g/mol
Exact Mass157.09
IUPAC Name2-ethyl-4-propan-2-yl-2,3-dihydro-1,3-thiazole
SMILESCCC1NC(C(C)C)=CS1
InChIInChI=1S/C8H15NS/c1-4-8-9-7(5-10-8)6(2)3/h5-6,8-9H,4H2,1-3H3
InChIKeyCUOFLZSCNJCTBL-UHFFFAOYSA-N
XLogP2.56
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.28
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-4-propan-2-yl-2,3-dihydro-1,3-thiazole?
The IUPAC name of 2-ethyl-4-propan-2-yl-2,3-dihydro-1,3-thiazole (CID 146609719) is 2-ethyl-4-propan-2-yl-2,3-dihydro-1,3-thiazole.
What is the SMILES notation for 2-ethyl-4-propan-2-yl-2,3-dihydro-1,3-thiazole?
The canonical SMILES for 2-ethyl-4-propan-2-yl-2,3-dihydro-1,3-thiazole is CCC1NC(C(C)C)=CS1.
What is the InChIKey of 2-ethyl-4-propan-2-yl-2,3-dihydro-1,3-thiazole?
The InChIKey is CUOFLZSCNJCTBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NS/c1-4-8-9-7(5-10-8)6(2)3/h5-6,8-9H,4H2,1-3H3.
What are the key properties of 2-ethyl-4-propan-2-yl-2,3-dihydro-1,3-thiazole?
2-ethyl-4-propan-2-yl-2,3-dihydro-1,3-thiazole has a molecular weight of 157.28 g/mol, XLogP of 2.56, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-4-propan-2-yl-2,3-dihydro-1,3-thiazole is sourced from PubChem (CID 146609719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).