(4R)-4-ethyl-2-[(E)-3-methylbut-1-enyl]-4,5-dihydro-1,3-thiazole

C10H17NS — CID 102007791

IUPAC(4R)-4-ethyl-2-[(E)-3-methylbut-1-enyl]-4,5-dihydro-1,3-thiazole
SMILESCC[C@@H]1CSC(/C=C/C(C)C)=N1
InChIInChI=1S/C10H17NS/c1-4-9-7-12-10(11-9)6-5-8(2)3/h5-6,8-9H,4,7H2,1-3H3/b6-5+/t9-/m1/s1
InChIKeySBNZKZHHJJCWQO-VUHVRTRXSA-N
MW183.32 g/mol
LogP3.12
Rot. Bonds3

About (4R)-4-ethyl-2-[(E)-3-methylbut-1-enyl]-4,5-dihydro-1,3-thiazole

(4R)-4-ethyl-2-[(E)-3-methylbut-1-enyl]-4,5-dihydro-1,3-thiazole (PubChem CID 102007791) has the molecular formula C10H17NS and a molecular weight of 183.32 g/mol. Its IUPAC name is (4R)-4-ethyl-2-[(E)-3-methylbut-1-enyl]-4,5-dihydro-1,3-thiazole.

Molecular Properties

Compound Name(4R)-4-ethyl-2-[(E)-3-methylbut-1-enyl]-4,5-dihydro-1,3-thiazole
PubChem CID102007791
Molecular FormulaC10H17NS
Molecular Weight183.32 g/mol
Exact Mass183.11
IUPAC Name(4R)-4-ethyl-2-[(E)-3-methylbut-1-enyl]-4,5-dihydro-1,3-thiazole
SMILESCC[C@@H]1CSC(/C=C/C(C)C)=N1
InChIInChI=1S/C10H17NS/c1-4-9-7-12-10(11-9)6-5-8(2)3/h5-6,8-9H,4,7H2,1-3H3/b6-5+/t9-/m1/s1
InChIKeySBNZKZHHJJCWQO-VUHVRTRXSA-N
XLogP3.12
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.32
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4R)-4-ethyl-2-[(E)-3-methylbut-1-enyl]-4,5-dihydro-1,3-thiazole?
The IUPAC name of (4R)-4-ethyl-2-[(E)-3-methylbut-1-enyl]-4,5-dihydro-1,3-thiazole (CID 102007791) is (4R)-4-ethyl-2-[(E)-3-methylbut-1-enyl]-4,5-dihydro-1,3-thiazole.
What is the SMILES notation for (4R)-4-ethyl-2-[(E)-3-methylbut-1-enyl]-4,5-dihydro-1,3-thiazole?
The canonical SMILES for (4R)-4-ethyl-2-[(E)-3-methylbut-1-enyl]-4,5-dihydro-1,3-thiazole is CC[C@@H]1CSC(/C=C/C(C)C)=N1.
What is the InChIKey of (4R)-4-ethyl-2-[(E)-3-methylbut-1-enyl]-4,5-dihydro-1,3-thiazole?
The InChIKey is SBNZKZHHJJCWQO-VUHVRTRXSA-N. The full InChI is InChI=1S/C10H17NS/c1-4-9-7-12-10(11-9)6-5-8(2)3/h5-6,8-9H,4,7H2,1-3H3/b6-5+/t9-/m1/s1.
What are the key properties of (4R)-4-ethyl-2-[(E)-3-methylbut-1-enyl]-4,5-dihydro-1,3-thiazole?
(4R)-4-ethyl-2-[(E)-3-methylbut-1-enyl]-4,5-dihydro-1,3-thiazole has a molecular weight of 183.32 g/mol, XLogP of 3.12, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-ethyl-2-[(E)-3-methylbut-1-enyl]-4,5-dihydro-1,3-thiazole is sourced from PubChem (CID 102007791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).