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

C8H15NS — CID 143926182

IUPAC(4R)-2-ethyl-4-propan-2-yl-4,5-dihydro-1,3-thiazole
SMILESCCC1=N[C@H](C(C)C)CS1
InChIInChI=1S/C8H15NS/c1-4-8-9-7(5-10-8)6(2)3/h6-7H,4-5H2,1-3H3/t7-/m0/s1
InChIKeyWTLMOORLUJWLHW-ZETCQYMHSA-N
MW157.28 g/mol
LogP2.57
Rot. Bonds2

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

(4R)-2-ethyl-4-propan-2-yl-4,5-dihydro-1,3-thiazole (PubChem CID 143926182) has the molecular formula C8H15NS and a molecular weight of 157.28 g/mol. Its IUPAC name is (4R)-2-ethyl-4-propan-2-yl-4,5-dihydro-1,3-thiazole.

Molecular Properties

Compound Name(4R)-2-ethyl-4-propan-2-yl-4,5-dihydro-1,3-thiazole
PubChem CID143926182
Molecular FormulaC8H15NS
Molecular Weight157.28 g/mol
Exact Mass157.09
IUPAC Name(4R)-2-ethyl-4-propan-2-yl-4,5-dihydro-1,3-thiazole
SMILESCCC1=N[C@H](C(C)C)CS1
InChIInChI=1S/C8H15NS/c1-4-8-9-7(5-10-8)6(2)3/h6-7H,4-5H2,1-3H3/t7-/m0/s1
InChIKeyWTLMOORLUJWLHW-ZETCQYMHSA-N
XLogP2.57
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.28
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4R)-2-ethyl-4-propan-2-yl-4,5-dihydro-1,3-thiazole?
The IUPAC name of (4R)-2-ethyl-4-propan-2-yl-4,5-dihydro-1,3-thiazole (CID 143926182) is (4R)-2-ethyl-4-propan-2-yl-4,5-dihydro-1,3-thiazole.
What is the SMILES notation for (4R)-2-ethyl-4-propan-2-yl-4,5-dihydro-1,3-thiazole?
The canonical SMILES for (4R)-2-ethyl-4-propan-2-yl-4,5-dihydro-1,3-thiazole is CCC1=N[C@H](C(C)C)CS1.
What is the InChIKey of (4R)-2-ethyl-4-propan-2-yl-4,5-dihydro-1,3-thiazole?
The InChIKey is WTLMOORLUJWLHW-ZETCQYMHSA-N. The full InChI is InChI=1S/C8H15NS/c1-4-8-9-7(5-10-8)6(2)3/h6-7H,4-5H2,1-3H3/t7-/m0/s1.
What are the key properties of (4R)-2-ethyl-4-propan-2-yl-4,5-dihydro-1,3-thiazole?
(4R)-2-ethyl-4-propan-2-yl-4,5-dihydro-1,3-thiazole has a molecular weight of 157.28 g/mol, XLogP of 2.57, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-2-ethyl-4-propan-2-yl-4,5-dihydro-1,3-thiazole is sourced from PubChem (CID 143926182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).