4-(2,3-dimethylbut-2-enyl)-2-(4-methylphenyl)-1,3-thiazole

C16H19NS — CID 144794797

IUPAC4-(2,3-dimethylbut-2-enyl)-2-(4-methylphenyl)-1,3-thiazole
SMILESCC(C)=C(C)Cc1csc(-c2ccc(C)cc2)n1
InChIInChI=1S/C16H19NS/c1-11(2)13(4)9-15-10-18-16(17-15)14-7-5-12(3)6-8-14/h5-8,10H,9H2,1-4H3
InChIKeyYZNFMGRDOCIOSH-UHFFFAOYSA-N
MW257.40 g/mol
LogP5.02
Rot. Bonds3

About 4-(2,3-dimethylbut-2-enyl)-2-(4-methylphenyl)-1,3-thiazole

4-(2,3-dimethylbut-2-enyl)-2-(4-methylphenyl)-1,3-thiazole (PubChem CID 144794797) has the molecular formula C16H19NS and a molecular weight of 257.40 g/mol. Its IUPAC name is 4-(2,3-dimethylbut-2-enyl)-2-(4-methylphenyl)-1,3-thiazole.

Molecular Properties

Compound Name4-(2,3-dimethylbut-2-enyl)-2-(4-methylphenyl)-1,3-thiazole
PubChem CID144794797
Molecular FormulaC16H19NS
Molecular Weight257.40 g/mol
Exact Mass257.12
IUPAC Name4-(2,3-dimethylbut-2-enyl)-2-(4-methylphenyl)-1,3-thiazole
SMILESCC(C)=C(C)Cc1csc(-c2ccc(C)cc2)n1
InChIInChI=1S/C16H19NS/c1-11(2)13(4)9-15-10-18-16(17-15)14-7-5-12(3)6-8-14/h5-8,10H,9H2,1-4H3
InChIKeyYZNFMGRDOCIOSH-UHFFFAOYSA-N
XLogP5.02
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500257.40
LogP ≤ 55.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-1-[2-(4-methylphenyl)-1,3-thiazol-4-yl]propan-2-amine
CID 116888227
2-(4-methylphenyl)-4-propyl-1,3-thiazole
CID 115641441
N-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl]ethanamine
CID 60641301
2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethanamine
CID 3799257
1-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]propan-2-one
CID 115089550
1-methyl-3-[[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]acetyl]amino]urea
CID 86835778
2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]-1-piperazin-1-ylethanone
CID 39305192
2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]-N-(5-methyl-2-pyridinyl)acetamide
CID 35025092
N-(1-amino-2-methylpropan-2-yl)-2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]acetamide
CID 119521950
(2S,3S)-1,4-bis[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methylsulfanyl]butane-2,3-diol
CID 98082805
[(2S)-1-amino-1-oxopropan-2-yl] 2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]acetate
CID 8815942
N'-[2-(4-methylanilino)acetyl]-2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]acetohydrazide
CID 78823652

Frequently Asked Questions

What is the IUPAC name of 4-(2,3-dimethylbut-2-enyl)-2-(4-methylphenyl)-1,3-thiazole?
The IUPAC name of 4-(2,3-dimethylbut-2-enyl)-2-(4-methylphenyl)-1,3-thiazole (CID 144794797) is 4-(2,3-dimethylbut-2-enyl)-2-(4-methylphenyl)-1,3-thiazole.
What is the SMILES notation for 4-(2,3-dimethylbut-2-enyl)-2-(4-methylphenyl)-1,3-thiazole?
The canonical SMILES for 4-(2,3-dimethylbut-2-enyl)-2-(4-methylphenyl)-1,3-thiazole is CC(C)=C(C)Cc1csc(-c2ccc(C)cc2)n1.
What is the InChIKey of 4-(2,3-dimethylbut-2-enyl)-2-(4-methylphenyl)-1,3-thiazole?
The InChIKey is YZNFMGRDOCIOSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NS/c1-11(2)13(4)9-15-10-18-16(17-15)14-7-5-12(3)6-8-14/h5-8,10H,9H2,1-4H3.
What are the key properties of 4-(2,3-dimethylbut-2-enyl)-2-(4-methylphenyl)-1,3-thiazole?
4-(2,3-dimethylbut-2-enyl)-2-(4-methylphenyl)-1,3-thiazole has a molecular weight of 257.40 g/mol, XLogP of 5.02, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3-dimethylbut-2-enyl)-2-(4-methylphenyl)-1,3-thiazole is sourced from PubChem (CID 144794797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).