4-(2,3-dimethylbutyl)-2-(2,2-dimethylpropyl)-1,3-thiazole

C14H25NS — CID 170239016

IUPAC4-(2,3-dimethylbutyl)-2-(2,2-dimethylpropyl)-1,3-thiazole
SMILESCC(C)C(C)Cc1csc(CC(C)(C)C)n1
InChIInChI=1S/C14H25NS/c1-10(2)11(3)7-12-9-16-13(15-12)8-14(4,5)6/h9-11H,7-8H2,1-6H3
InChIKeyHTDJDHNHEUQANE-UHFFFAOYSA-N
MW239.43 g/mol
LogP4.57
Rot. Bonds4

About 4-(2,3-dimethylbutyl)-2-(2,2-dimethylpropyl)-1,3-thiazole

4-(2,3-dimethylbutyl)-2-(2,2-dimethylpropyl)-1,3-thiazole (PubChem CID 170239016) has the molecular formula C14H25NS and a molecular weight of 239.43 g/mol. Its IUPAC name is 4-(2,3-dimethylbutyl)-2-(2,2-dimethylpropyl)-1,3-thiazole.

Molecular Properties

Compound Name4-(2,3-dimethylbutyl)-2-(2,2-dimethylpropyl)-1,3-thiazole
PubChem CID170239016
Molecular FormulaC14H25NS
Molecular Weight239.43 g/mol
Exact Mass239.17
IUPAC Name4-(2,3-dimethylbutyl)-2-(2,2-dimethylpropyl)-1,3-thiazole
SMILESCC(C)C(C)Cc1csc(CC(C)(C)C)n1
InChIInChI=1S/C14H25NS/c1-10(2)11(3)7-12-9-16-13(15-12)8-14(4,5)6/h9-11H,7-8H2,1-6H3
InChIKeyHTDJDHNHEUQANE-UHFFFAOYSA-N
XLogP4.57
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.43
LogP ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 4-(2,3-dimethylbutyl)-2-(2,2-dimethylpropyl)-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

2,2-dimethyl-3-[4-(2-methylpropyl)-1,3-thiazol-2-yl]propan-1-amine
CID 116965203
1-[2-(2,2-dimethylpropyl)-1,3-thiazol-4-yl]ethanamine
CID 64543263
2-[2-(2,2-dimethylpropyl)-1,3-thiazol-4-yl]acetic acid
CID 63892978
3-[2-(2,2-dimethylpropyl)-1,3-thiazol-4-yl]propanoic acid
CID 103485574
methyl 2,2-dimethyl-3-[4-(2-methylpropyl)-1,3-thiazol-2-yl]propanoate
CID 116969019
4-[2,2-dimethyl-3-(4-methyl-1,3-thiazol-5-yl)propyl]-2-(2,2-dimethylpropyl)-1,3-thiazole
CID 126539827
2-(2,2-dimethylpropyl)-4-[(2R)-pyrrolidin-2-yl]-1,3-thiazole
CID 104853395
ethyl 3-[2-(2,2-dimethylpropyl)-1,3-thiazol-4-yl]propanoate
CID 103485384
3-methyl-2-[[4-(2-methylpropyl)-1,3-thiazol-2-yl]methyl]butan-1-amine
CID 116969696
2-methyl-3-[4-(2-methylpropyl)-1,3-thiazol-2-yl]propan-1-amine
CID 116965082
4-(1H-benzimidazol-2-yl)-2-(2,2-dimethylpropyl)-1,3-thiazole
CID 123159437
N-[[2-(aminomethyl)-1,3-thiazol-4-yl]methyl]-2,3,3-trimethylbutan-1-amine
CID 83143401

Frequently Asked Questions

What is the IUPAC name of 4-(2,3-dimethylbutyl)-2-(2,2-dimethylpropyl)-1,3-thiazole?
The IUPAC name of 4-(2,3-dimethylbutyl)-2-(2,2-dimethylpropyl)-1,3-thiazole (CID 170239016) is 4-(2,3-dimethylbutyl)-2-(2,2-dimethylpropyl)-1,3-thiazole.
What is the SMILES notation for 4-(2,3-dimethylbutyl)-2-(2,2-dimethylpropyl)-1,3-thiazole?
The canonical SMILES for 4-(2,3-dimethylbutyl)-2-(2,2-dimethylpropyl)-1,3-thiazole is CC(C)C(C)Cc1csc(CC(C)(C)C)n1.
What is the InChIKey of 4-(2,3-dimethylbutyl)-2-(2,2-dimethylpropyl)-1,3-thiazole?
The InChIKey is HTDJDHNHEUQANE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NS/c1-10(2)11(3)7-12-9-16-13(15-12)8-14(4,5)6/h9-11H,7-8H2,1-6H3.
What are the key properties of 4-(2,3-dimethylbutyl)-2-(2,2-dimethylpropyl)-1,3-thiazole?
4-(2,3-dimethylbutyl)-2-(2,2-dimethylpropyl)-1,3-thiazole has a molecular weight of 239.43 g/mol, XLogP of 4.57, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3-dimethylbutyl)-2-(2,2-dimethylpropyl)-1,3-thiazole is sourced from PubChem (CID 170239016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).