(4S)-4-[(2Z)-penta-2,4-dien-2-yl]-4,5-dihydro-1,3-thiazole

C8H11NS — CID 174023134

IUPAC(4S)-4-[(2Z)-penta-2,4-dien-2-yl]-4,5-dihydro-1,3-thiazole
SMILESC=C/C=C(/C)[C@H]1CSC=N1
InChIInChI=1S/C8H11NS/c1-3-4-7(2)8-5-10-6-9-8/h3-4,6,8H,1,5H2,2H3/b7-4-/t8-/m1/s1
InChIKeyOVULLAGOFPOWIK-RBMBQVQZSA-N
MW153.25 g/mol
LogP2.26
Rot. Bonds2

About (4S)-4-[(2Z)-penta-2,4-dien-2-yl]-4,5-dihydro-1,3-thiazole

(4S)-4-[(2Z)-penta-2,4-dien-2-yl]-4,5-dihydro-1,3-thiazole (PubChem CID 174023134) has the molecular formula C8H11NS and a molecular weight of 153.25 g/mol. Its IUPAC name is (4S)-4-[(2Z)-penta-2,4-dien-2-yl]-4,5-dihydro-1,3-thiazole.

Molecular Properties

Compound Name(4S)-4-[(2Z)-penta-2,4-dien-2-yl]-4,5-dihydro-1,3-thiazole
PubChem CID174023134
Molecular FormulaC8H11NS
Molecular Weight153.25 g/mol
Exact Mass153.06
IUPAC Name(4S)-4-[(2Z)-penta-2,4-dien-2-yl]-4,5-dihydro-1,3-thiazole
SMILESC=C/C=C(/C)[C@H]1CSC=N1
InChIInChI=1S/C8H11NS/c1-3-4-7(2)8-5-10-6-9-8/h3-4,6,8H,1,5H2,2H3/b7-4-/t8-/m1/s1
InChIKeyOVULLAGOFPOWIK-RBMBQVQZSA-N
XLogP2.26
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.25
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

3aH-cyclopenta[g][1,3]benzothiazole
CID 53653157
5-Methyl-3a,7a-dihydro-1,3-benzothiazole
CID 57790257
5-Tert-butyl-3a,7a-dihydro-1,3-benzothiazole
CID 59199718
6-Propan-2-yl-3a,7a-dihydro-1,3-benzothiazole
CID 59529715
2,5-Dimethyl-3a,7a-dihydro-1,3-benzothiazole
CID 60099158
6-Methyl-3a,7a-dihydro-1,3-benzothiazole
CID 68074517
4-[(3Z,5E)-5-bromohepta-1,3,5-trien-2-yl]-5-methyl-4,5-dihydro-1,3-thiazole
CID 88571567
6,7a-dimethyl-3aH-1,3-benzothiazole
CID 89075789
5,6-Dimethyl-3a,7a-dihydro-1,3-benzothiazole
CID 89495209
5,7-Dimethyl-3a,7a-dihydro-1,3-benzothiazole
CID 89495221
4,7-Dimethyl-3a,7a-dihydro-1,3-benzothiazole
CID 89495233
4,6-Dimethyl-3a,7a-dihydro-1,3-benzothiazole
CID 89495234

Frequently Asked Questions

What is the IUPAC name of (4S)-4-[(2Z)-penta-2,4-dien-2-yl]-4,5-dihydro-1,3-thiazole?
The IUPAC name of (4S)-4-[(2Z)-penta-2,4-dien-2-yl]-4,5-dihydro-1,3-thiazole (CID 174023134) is (4S)-4-[(2Z)-penta-2,4-dien-2-yl]-4,5-dihydro-1,3-thiazole.
What is the SMILES notation for (4S)-4-[(2Z)-penta-2,4-dien-2-yl]-4,5-dihydro-1,3-thiazole?
The canonical SMILES for (4S)-4-[(2Z)-penta-2,4-dien-2-yl]-4,5-dihydro-1,3-thiazole is C=C/C=C(/C)[C@H]1CSC=N1.
What is the InChIKey of (4S)-4-[(2Z)-penta-2,4-dien-2-yl]-4,5-dihydro-1,3-thiazole?
The InChIKey is OVULLAGOFPOWIK-RBMBQVQZSA-N. The full InChI is InChI=1S/C8H11NS/c1-3-4-7(2)8-5-10-6-9-8/h3-4,6,8H,1,5H2,2H3/b7-4-/t8-/m1/s1.
What are the key properties of (4S)-4-[(2Z)-penta-2,4-dien-2-yl]-4,5-dihydro-1,3-thiazole?
(4S)-4-[(2Z)-penta-2,4-dien-2-yl]-4,5-dihydro-1,3-thiazole has a molecular weight of 153.25 g/mol, XLogP of 2.26, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-[(2Z)-penta-2,4-dien-2-yl]-4,5-dihydro-1,3-thiazole is sourced from PubChem (CID 174023134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).