2,4-dimethyl-5-[(1Z)-3-methylbuta-1,3-dienyl]-1,3-thiazole

C10H13NS — CID 88927409

IUPAC2,4-dimethyl-5-[(1Z)-3-methylbuta-1,3-dienyl]-1,3-thiazole
SMILESC=C(C)/C=C\c1sc(C)nc1C
InChIInChI=1S/C10H13NS/c1-7(2)5-6-10-8(3)11-9(4)12-10/h5-6H,1H2,2-4H3/b6-5-
InChIKeyAOQLIBFPOMHACB-WAYWQWQTSA-N
MW179.29 g/mol
LogP3.35
Rot. Bonds2

About 2,4-dimethyl-5-[(1Z)-3-methylbuta-1,3-dienyl]-1,3-thiazole

2,4-dimethyl-5-[(1Z)-3-methylbuta-1,3-dienyl]-1,3-thiazole (PubChem CID 88927409) has the molecular formula C10H13NS and a molecular weight of 179.29 g/mol. Its IUPAC name is 2,4-dimethyl-5-[(1Z)-3-methylbuta-1,3-dienyl]-1,3-thiazole.

Molecular Properties

Compound Name2,4-dimethyl-5-[(1Z)-3-methylbuta-1,3-dienyl]-1,3-thiazole
PubChem CID88927409
Molecular FormulaC10H13NS
Molecular Weight179.29 g/mol
Exact Mass179.08
IUPAC Name2,4-dimethyl-5-[(1Z)-3-methylbuta-1,3-dienyl]-1,3-thiazole
SMILESC=C(C)/C=C\c1sc(C)nc1C
InChIInChI=1S/C10H13NS/c1-7(2)5-6-10-8(3)11-9(4)12-10/h5-6H,1H2,2-4H3/b6-5-
InChIKeyAOQLIBFPOMHACB-WAYWQWQTSA-N
XLogP3.35
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.29
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-5-[(1Z)-3-methylbuta-1,3-dienyl]-1,3-thiazole?
The IUPAC name of 2,4-dimethyl-5-[(1Z)-3-methylbuta-1,3-dienyl]-1,3-thiazole (CID 88927409) is 2,4-dimethyl-5-[(1Z)-3-methylbuta-1,3-dienyl]-1,3-thiazole.
What is the SMILES notation for 2,4-dimethyl-5-[(1Z)-3-methylbuta-1,3-dienyl]-1,3-thiazole?
The canonical SMILES for 2,4-dimethyl-5-[(1Z)-3-methylbuta-1,3-dienyl]-1,3-thiazole is C=C(C)/C=C\c1sc(C)nc1C.
What is the InChIKey of 2,4-dimethyl-5-[(1Z)-3-methylbuta-1,3-dienyl]-1,3-thiazole?
The InChIKey is AOQLIBFPOMHACB-WAYWQWQTSA-N. The full InChI is InChI=1S/C10H13NS/c1-7(2)5-6-10-8(3)11-9(4)12-10/h5-6H,1H2,2-4H3/b6-5-.
What are the key properties of 2,4-dimethyl-5-[(1Z)-3-methylbuta-1,3-dienyl]-1,3-thiazole?
2,4-dimethyl-5-[(1Z)-3-methylbuta-1,3-dienyl]-1,3-thiazole has a molecular weight of 179.29 g/mol, XLogP of 3.35, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-5-[(1Z)-3-methylbuta-1,3-dienyl]-1,3-thiazole is sourced from PubChem (CID 88927409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).