4-(2-methylheptan-2-yl)-1,3-thiazole

C11H19NS — CID 146654398

IUPAC4-(2-methylheptan-2-yl)-1,3-thiazole
SMILESCCCCCC(C)(C)c1cscn1
InChIInChI=1S/C11H19NS/c1-4-5-6-7-11(2,3)10-8-13-9-12-10/h8-9H,4-7H2,1-3H3
InChIKeyAJOFMZUGBZUONZ-UHFFFAOYSA-N
MW197.35 g/mol
LogP4.00
Rot. Bonds5

About 4-(2-methylheptan-2-yl)-1,3-thiazole

4-(2-methylheptan-2-yl)-1,3-thiazole (PubChem CID 146654398) has the molecular formula C11H19NS and a molecular weight of 197.35 g/mol. Its IUPAC name is 4-(2-methylheptan-2-yl)-1,3-thiazole.

Molecular Properties

Compound Name4-(2-methylheptan-2-yl)-1,3-thiazole
PubChem CID146654398
Molecular FormulaC11H19NS
Molecular Weight197.35 g/mol
Exact Mass197.12
IUPAC Name4-(2-methylheptan-2-yl)-1,3-thiazole
SMILESCCCCCC(C)(C)c1cscn1
InChIInChI=1S/C11H19NS/c1-4-5-6-7-11(2,3)10-8-13-9-12-10/h8-9H,4-7H2,1-3H3
InChIKeyAJOFMZUGBZUONZ-UHFFFAOYSA-N
XLogP4.00
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.35
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-(2-methylheptan-2-yl)-1,3-thiazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(3-methylhexan-3-yl)-1,3-thiazole
CID 90363109
4-heptyl-1,3-thiazole;octane
CID 91422595
4-(2-methyloctan-2-yl)-1,3-oxazole
CID 166896214
2-(1,3-thiazol-4-yl)propan-2-ol
CID 91099145
2-ethenyl-4-(2-methylnonan-2-yl)-1,3-thiazole
CID 129132669
4-(5-imidazo[1,2-a]pyridin-2-yl-2,5-dimethylhexan-2-yl)-1,3-thiazole
CID 154989408
6-(2-methyloctan-2-yl)pyridine-3-carbonitrile
CID 139320145
1-butan-2-yl-4-(2-methylheptan-2-yl)imidazole
CID 174630558
1-methyl-4-(2-methylhexan-2-yl)imidazole
CID 129152164
2-methyl-3-(1,3-thiazol-4-yl)pentan-3-ol
CID 130697684
5-(2-methylheptan-2-yl)benzene-1,3-diol
CID 12713057
5-(2-methylnonan-2-yl)-1,2-thiazole
CID 146620702

Frequently Asked Questions

What is the IUPAC name of 4-(2-methylheptan-2-yl)-1,3-thiazole?
The IUPAC name of 4-(2-methylheptan-2-yl)-1,3-thiazole (CID 146654398) is 4-(2-methylheptan-2-yl)-1,3-thiazole.
What is the SMILES notation for 4-(2-methylheptan-2-yl)-1,3-thiazole?
The canonical SMILES for 4-(2-methylheptan-2-yl)-1,3-thiazole is CCCCCC(C)(C)c1cscn1.
What is the InChIKey of 4-(2-methylheptan-2-yl)-1,3-thiazole?
The InChIKey is AJOFMZUGBZUONZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NS/c1-4-5-6-7-11(2,3)10-8-13-9-12-10/h8-9H,4-7H2,1-3H3.
What are the key properties of 4-(2-methylheptan-2-yl)-1,3-thiazole?
4-(2-methylheptan-2-yl)-1,3-thiazole has a molecular weight of 197.35 g/mol, XLogP of 4.00, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylheptan-2-yl)-1,3-thiazole is sourced from PubChem (CID 146654398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).