(4S)-4-ethyl-2-(2-methylprop-1-enyl)-4,5-dihydro-1,3-thiazole

C9H15NS — CID 102007797

IUPAC(4S)-4-ethyl-2-(2-methylprop-1-enyl)-4,5-dihydro-1,3-thiazole
SMILESCC[C@H]1CSC(C=C(C)C)=N1
InChIInChI=1S/C9H15NS/c1-4-8-6-11-9(10-8)5-7(2)3/h5,8H,4,6H2,1-3H3/t8-/m0/s1
InChIKeyVRGMAWLEEYDPMN-QMMMGPOBSA-N
MW169.29 g/mol
LogP2.88
Rot. Bonds2

About (4S)-4-ethyl-2-(2-methylprop-1-enyl)-4,5-dihydro-1,3-thiazole

(4S)-4-ethyl-2-(2-methylprop-1-enyl)-4,5-dihydro-1,3-thiazole (PubChem CID 102007797) has the molecular formula C9H15NS and a molecular weight of 169.29 g/mol. Its IUPAC name is (4S)-4-ethyl-2-(2-methylprop-1-enyl)-4,5-dihydro-1,3-thiazole.

Molecular Properties

Compound Name(4S)-4-ethyl-2-(2-methylprop-1-enyl)-4,5-dihydro-1,3-thiazole
PubChem CID102007797
Molecular FormulaC9H15NS
Molecular Weight169.29 g/mol
Exact Mass169.09
IUPAC Name(4S)-4-ethyl-2-(2-methylprop-1-enyl)-4,5-dihydro-1,3-thiazole
SMILESCC[C@H]1CSC(C=C(C)C)=N1
InChIInChI=1S/C9H15NS/c1-4-8-6-11-9(10-8)5-7(2)3/h5,8H,4,6H2,1-3H3/t8-/m0/s1
InChIKeyVRGMAWLEEYDPMN-QMMMGPOBSA-N
XLogP2.88
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.29
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4S)-4-ethyl-2-(2-methylprop-1-enyl)-4,5-dihydro-1,3-thiazole?
The IUPAC name of (4S)-4-ethyl-2-(2-methylprop-1-enyl)-4,5-dihydro-1,3-thiazole (CID 102007797) is (4S)-4-ethyl-2-(2-methylprop-1-enyl)-4,5-dihydro-1,3-thiazole.
What is the SMILES notation for (4S)-4-ethyl-2-(2-methylprop-1-enyl)-4,5-dihydro-1,3-thiazole?
The canonical SMILES for (4S)-4-ethyl-2-(2-methylprop-1-enyl)-4,5-dihydro-1,3-thiazole is CC[C@H]1CSC(C=C(C)C)=N1.
What is the InChIKey of (4S)-4-ethyl-2-(2-methylprop-1-enyl)-4,5-dihydro-1,3-thiazole?
The InChIKey is VRGMAWLEEYDPMN-QMMMGPOBSA-N. The full InChI is InChI=1S/C9H15NS/c1-4-8-6-11-9(10-8)5-7(2)3/h5,8H,4,6H2,1-3H3/t8-/m0/s1.
What are the key properties of (4S)-4-ethyl-2-(2-methylprop-1-enyl)-4,5-dihydro-1,3-thiazole?
(4S)-4-ethyl-2-(2-methylprop-1-enyl)-4,5-dihydro-1,3-thiazole has a molecular weight of 169.29 g/mol, XLogP of 2.88, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-ethyl-2-(2-methylprop-1-enyl)-4,5-dihydro-1,3-thiazole is sourced from PubChem (CID 102007797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).