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

C10H17NS — CID 102007792

IUPAC(4S)-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-/m0/s1
InChIKeySBNZKZHHJJCWQO-CYNONHLPSA-N
MW183.32 g/mol
LogP3.12
Rot. Bonds3

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

(4S)-4-ethyl-2-[(E)-3-methylbut-1-enyl]-4,5-dihydro-1,3-thiazole (PubChem CID 102007792) has the molecular formula C10H17NS and a molecular weight of 183.32 g/mol. Its IUPAC name is (4S)-4-ethyl-2-[(E)-3-methylbut-1-enyl]-4,5-dihydro-1,3-thiazole.

Molecular Properties

Compound Name(4S)-4-ethyl-2-[(E)-3-methylbut-1-enyl]-4,5-dihydro-1,3-thiazole
PubChem CID102007792
Molecular FormulaC10H17NS
Molecular Weight183.32 g/mol
Exact Mass183.11
IUPAC Name(4S)-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-/m0/s1
InChIKeySBNZKZHHJJCWQO-CYNONHLPSA-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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Related Compounds

(4R)-2-[(1R,2S)-2-methylcyclopropyl]-4-[(Z)-prop-1-enyl]-4,5-dihydro-1,3-thiazole
CID 10081028
(R)-4-((1Z,5E)-Hepta-1,5-dienyl)-2-((1R,2S)-2-methyl-cyclopropyl)-4,5-dihydro-thiazole
CID 44323028
2-[(E)-3,3-dimethylbut-1-enyl]-4,5-dihydro-1,3-thiazole
CID 11542847
4-[(Z)-but-1-enyl]-2-methyl-4,5-dihydro-1,3-thiazole
CID 121327428
5-[(Z)-but-2-enyl]-2,4-dimethyl-4,5-dihydro-1,3-thiazole;ethane;ethene
CID 141771732
ethane;2-[(E)-pent-1-enyl]-4,5-dihydro-1,3-thiazole
CID 143892380
ethane;(2E)-N-ethyl-2-ethylidenethiophen-3-imine
CID 144296091
(2Z)-N-ethyl-2-(3-methylbutan-2-ylidene)thiophen-3-imine
CID 153342696
4-ethenyl-2-methyl-5-[(Z)-prop-1-enyl]-4,5-dihydro-1,3-thiazole
CID 164106303
(E)-6-ethylsulfanyl-N-propan-2-ylhept-3-en-2-imine
CID 165372336
ethane;N-ethyl-2-propan-2-ylidenethiophen-3-imine
CID 170732073
(E)-6-ethylsulfanyl-N-(2-methylpropyl)hept-3-en-2-imine
CID 171739942

Frequently Asked Questions

What is the IUPAC name of (4S)-4-ethyl-2-[(E)-3-methylbut-1-enyl]-4,5-dihydro-1,3-thiazole?
The IUPAC name of (4S)-4-ethyl-2-[(E)-3-methylbut-1-enyl]-4,5-dihydro-1,3-thiazole (CID 102007792) is (4S)-4-ethyl-2-[(E)-3-methylbut-1-enyl]-4,5-dihydro-1,3-thiazole.
What is the SMILES notation for (4S)-4-ethyl-2-[(E)-3-methylbut-1-enyl]-4,5-dihydro-1,3-thiazole?
The canonical SMILES for (4S)-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 (4S)-4-ethyl-2-[(E)-3-methylbut-1-enyl]-4,5-dihydro-1,3-thiazole?
The InChIKey is SBNZKZHHJJCWQO-CYNONHLPSA-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-/m0/s1.
What are the key properties of (4S)-4-ethyl-2-[(E)-3-methylbut-1-enyl]-4,5-dihydro-1,3-thiazole?
(4S)-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 (4S)-4-ethyl-2-[(E)-3-methylbut-1-enyl]-4,5-dihydro-1,3-thiazole is sourced from PubChem (CID 102007792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).