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

C10H13NS — CID 143115649

IUPAC2,4-dimethyl-5-[(1Z)-2-methylbuta-1,3-dienyl]-1,3-thiazole
SMILESC=C/C(C)=C\c1sc(C)nc1C
InChIInChI=1S/C10H13NS/c1-5-7(2)6-10-8(3)11-9(4)12-10/h5-6H,1H2,2-4H3/b7-6-
InChIKeyHNEQSWXAPFCNAM-SREVYHEPSA-N
MW179.29 g/mol
LogP3.35
Rot. Bonds2

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

2,4-dimethyl-5-[(1Z)-2-methylbuta-1,3-dienyl]-1,3-thiazole (PubChem CID 143115649) has the molecular formula C10H13NS and a molecular weight of 179.29 g/mol. Its IUPAC name is 2,4-dimethyl-5-[(1Z)-2-methylbuta-1,3-dienyl]-1,3-thiazole.

Molecular Properties

Compound Name2,4-dimethyl-5-[(1Z)-2-methylbuta-1,3-dienyl]-1,3-thiazole
PubChem CID143115649
Molecular FormulaC10H13NS
Molecular Weight179.29 g/mol
Exact Mass179.08
IUPAC Name2,4-dimethyl-5-[(1Z)-2-methylbuta-1,3-dienyl]-1,3-thiazole
SMILESC=C/C(C)=C\c1sc(C)nc1C
InChIInChI=1S/C10H13NS/c1-5-7(2)6-10-8(3)11-9(4)12-10/h5-6H,1H2,2-4H3/b7-6-
InChIKeyHNEQSWXAPFCNAM-SREVYHEPSA-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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Related Compounds

2-[(2,4-dimethyl-1,3-thiazol-5-yl)methylidene]-N-methylbutan-1-amine
CID 79329530
5-[(1Z)-buta-1,3-dienyl]-2,4-dimethyl-1,3-thiazole;ethane
CID 143165209
3,5-dimethyl-2-[(1Z)-2-methylbuta-1,3-dienyl]thiophene
CID 142079801
2,4-dimethyl-1,3-thiazole-5-carbaldehyde;ethane
CID 142103323
2-[(2,4-dimethyl-1,3-thiazol-5-yl)methylidene]-N-ethylbutan-1-amine
CID 79329546
1,2,4-trimethyl-5-[(1Z)-2-methylbuta-1,3-dienyl]imidazole
CID 89150454
N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]prop-2-enamide
CID 131129143
1-ethenyl-3-methyl-5-[(1Z)-2-methylbuta-1,3-dienyl]-1,2,4-triazole
CID 170227829
ethane;5-ethenyl-4-(1-methoxyethenyl)-2-methyl-1,3-thiazole
CID 178049225
5-chloro-2,4-dimethyl-1,3-thiazole
CID 20719823
ethane;5-ethenyl-4-methyl-1,3-thiazol-2-amine
CID 177047215
(2,4-dimethyl-1,3-thiazol-5-yl) acetate
CID 19794043

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-5-[(1Z)-2-methylbuta-1,3-dienyl]-1,3-thiazole?
The IUPAC name of 2,4-dimethyl-5-[(1Z)-2-methylbuta-1,3-dienyl]-1,3-thiazole (CID 143115649) is 2,4-dimethyl-5-[(1Z)-2-methylbuta-1,3-dienyl]-1,3-thiazole.
What is the SMILES notation for 2,4-dimethyl-5-[(1Z)-2-methylbuta-1,3-dienyl]-1,3-thiazole?
The canonical SMILES for 2,4-dimethyl-5-[(1Z)-2-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)-2-methylbuta-1,3-dienyl]-1,3-thiazole?
The InChIKey is HNEQSWXAPFCNAM-SREVYHEPSA-N. The full InChI is InChI=1S/C10H13NS/c1-5-7(2)6-10-8(3)11-9(4)12-10/h5-6H,1H2,2-4H3/b7-6-.
What are the key properties of 2,4-dimethyl-5-[(1Z)-2-methylbuta-1,3-dienyl]-1,3-thiazole?
2,4-dimethyl-5-[(1Z)-2-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)-2-methylbuta-1,3-dienyl]-1,3-thiazole is sourced from PubChem (CID 143115649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).