4-[2,2-dimethyl-3-(4-methyl-1,3-thiazol-5-yl)propyl]-2-(2,2-dimethylpropyl)-1,3-thiazole

C17H26N2S2 — CID 126539827

IUPAC4-[2,2-dimethyl-3-(4-methyl-1,3-thiazol-5-yl)propyl]-2-(2,2-dimethylpropyl)-1,3-thiazole
SMILESCc1ncsc1CC(C)(C)Cc1csc(CC(C)(C)C)n1
InChIInChI=1S/C17H26N2S2/c1-12-14(21-11-18-12)8-17(5,6)7-13-10-20-15(19-13)9-16(2,3)4/h10-11H,7-9H2,1-6H3
InChIKeyQBDZIQUHMREGAG-UHFFFAOYSA-N
MW322.54 g/mol
LogP5.31
Rot. Bonds5

About 4-[2,2-dimethyl-3-(4-methyl-1,3-thiazol-5-yl)propyl]-2-(2,2-dimethylpropyl)-1,3-thiazole

4-[2,2-dimethyl-3-(4-methyl-1,3-thiazol-5-yl)propyl]-2-(2,2-dimethylpropyl)-1,3-thiazole (PubChem CID 126539827) has the molecular formula C17H26N2S2 and a molecular weight of 322.54 g/mol. Its IUPAC name is 4-[2,2-dimethyl-3-(4-methyl-1,3-thiazol-5-yl)propyl]-2-(2,2-dimethylpropyl)-1,3-thiazole.

Molecular Properties

Compound Name4-[2,2-dimethyl-3-(4-methyl-1,3-thiazol-5-yl)propyl]-2-(2,2-dimethylpropyl)-1,3-thiazole
PubChem CID126539827
Molecular FormulaC17H26N2S2
Molecular Weight322.54 g/mol
Exact Mass322.15
IUPAC Name4-[2,2-dimethyl-3-(4-methyl-1,3-thiazol-5-yl)propyl]-2-(2,2-dimethylpropyl)-1,3-thiazole
SMILESCc1ncsc1CC(C)(C)Cc1csc(CC(C)(C)C)n1
InChIInChI=1S/C17H26N2S2/c1-12-14(21-11-18-12)8-17(5,6)7-13-10-20-15(19-13)9-16(2,3)4/h10-11H,7-9H2,1-6H3
InChIKeyQBDZIQUHMREGAG-UHFFFAOYSA-N
XLogP5.31
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500322.54
LogP ≤ 55.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4-[2,2-dimethyl-3-(4-methyl-1,3-thiazol-5-yl)propyl]-2-(2,2-dimethylpropyl)-1,3-thiazole with MolForge

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Related Compounds

[4-[[(4-methyl-1,3-thiazol-5-yl)methylamino]methyl]-1,3-thiazol-2-yl]methanamine
CID 66378687
N,2-dimethyl-1-(4-methyl-1,3-thiazol-5-yl)propan-2-amine
CID 164663998
4-(2,3-dimethylbutyl)-2-(2,2-dimethylpropyl)-1,3-thiazole
CID 170239016
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
N-[[4-[[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]methyl]-1,3-thiazol-2-yl]methyl]cyclopropanamine
CID 63837546
ethyl 3-[2-(2,2-dimethylpropyl)-1,3-thiazol-4-yl]propanoate
CID 103485384
N,2,2-trimethyl-4-(4-methyl-1,3-thiazol-5-yl)butan-1-amine
CID 62726130
2,2-dimethyl-3-(2-propyl-1,3-thiazol-4-yl)propan-1-amine
CID 116888476
2-methyl-4-(4-methyl-1,3-thiazol-5-yl)butan-2-amine
CID 65015632
1-[2-(2,2-dimethylpropyl)-1,3-thiazol-4-yl]ethanamine
CID 64543263
5-(2,2-dimethylpropyl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1,3,4-oxadiazol-2-amine
CID 75498297

Frequently Asked Questions

What is the IUPAC name of 4-[2,2-dimethyl-3-(4-methyl-1,3-thiazol-5-yl)propyl]-2-(2,2-dimethylpropyl)-1,3-thiazole?
The IUPAC name of 4-[2,2-dimethyl-3-(4-methyl-1,3-thiazol-5-yl)propyl]-2-(2,2-dimethylpropyl)-1,3-thiazole (CID 126539827) is 4-[2,2-dimethyl-3-(4-methyl-1,3-thiazol-5-yl)propyl]-2-(2,2-dimethylpropyl)-1,3-thiazole.
What is the SMILES notation for 4-[2,2-dimethyl-3-(4-methyl-1,3-thiazol-5-yl)propyl]-2-(2,2-dimethylpropyl)-1,3-thiazole?
The canonical SMILES for 4-[2,2-dimethyl-3-(4-methyl-1,3-thiazol-5-yl)propyl]-2-(2,2-dimethylpropyl)-1,3-thiazole is Cc1ncsc1CC(C)(C)Cc1csc(CC(C)(C)C)n1.
What is the InChIKey of 4-[2,2-dimethyl-3-(4-methyl-1,3-thiazol-5-yl)propyl]-2-(2,2-dimethylpropyl)-1,3-thiazole?
The InChIKey is QBDZIQUHMREGAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2S2/c1-12-14(21-11-18-12)8-17(5,6)7-13-10-20-15(19-13)9-16(2,3)4/h10-11H,7-9H2,1-6H3.
What are the key properties of 4-[2,2-dimethyl-3-(4-methyl-1,3-thiazol-5-yl)propyl]-2-(2,2-dimethylpropyl)-1,3-thiazole?
4-[2,2-dimethyl-3-(4-methyl-1,3-thiazol-5-yl)propyl]-2-(2,2-dimethylpropyl)-1,3-thiazole has a molecular weight of 322.54 g/mol, XLogP of 5.31, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2,2-dimethyl-3-(4-methyl-1,3-thiazol-5-yl)propyl]-2-(2,2-dimethylpropyl)-1,3-thiazole is sourced from PubChem (CID 126539827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).