5-(3,3-dimethylbutan-2-yl)-2-(6-methyl-3-pyridinyl)-1,3-thiazole

C15H20N2S — CID 130390654

IUPAC5-(3,3-dimethylbutan-2-yl)-2-(6-methyl-3-pyridinyl)-1,3-thiazole
SMILESCc1ccc(-c2ncc(C(C)C(C)(C)C)s2)cn1
InChIInChI=1S/C15H20N2S/c1-10-6-7-12(8-16-10)14-17-9-13(18-14)11(2)15(3,4)5/h6-9,11H,1-5H3
InChIKeyAODIIACNLPNKLF-UHFFFAOYSA-N
MW260.41 g/mol
LogP4.66
Rot. Bonds2

About 5-(3,3-dimethylbutan-2-yl)-2-(6-methyl-3-pyridinyl)-1,3-thiazole

5-(3,3-dimethylbutan-2-yl)-2-(6-methyl-3-pyridinyl)-1,3-thiazole (PubChem CID 130390654) has the molecular formula C15H20N2S and a molecular weight of 260.41 g/mol. Its IUPAC name is 5-(3,3-dimethylbutan-2-yl)-2-(6-methyl-3-pyridinyl)-1,3-thiazole.

Molecular Properties

Compound Name5-(3,3-dimethylbutan-2-yl)-2-(6-methyl-3-pyridinyl)-1,3-thiazole
PubChem CID130390654
Molecular FormulaC15H20N2S
Molecular Weight260.41 g/mol
Exact Mass260.13
IUPAC Name5-(3,3-dimethylbutan-2-yl)-2-(6-methyl-3-pyridinyl)-1,3-thiazole
SMILESCc1ccc(-c2ncc(C(C)C(C)(C)C)s2)cn1
InChIInChI=1S/C15H20N2S/c1-10-6-7-12(8-16-10)14-17-9-13(18-14)11(2)15(3,4)5/h6-9,11H,1-5H3
InChIKeyAODIIACNLPNKLF-UHFFFAOYSA-N
XLogP4.66
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.41
LogP ≤ 54.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-1-[2-(6-methyl-3-pyridinyl)-1,3-thiazol-5-yl]ethanamine
CID 104823163
5-(3,3-dimethylbutan-2-yl)-2-methylpyridine
CID 59623693
1-[2-(4-methylphenyl)-1,3-thiazol-5-yl]ethanol
CID 62651208
2-(2,6-dimethyl-4-pyridinyl)-5-propan-2-yl-1,3-thiazole
CID 107504782
2-methyl-5-(6-methyl-3-pyridinyl)-1,3,4-thiadiazole
CID 22899620
5-[5-(3,3-dimethylbutan-2-yl)-1,3,4-thiadiazol-2-yl]-N-methylpyridin-2-amine
CID 130242470
N-[[2-(6-methyl-3-pyridinyl)-1,3-thiazol-5-yl]methyl]ethanamine
CID 104823153
2-(6-methyl-3-pyridinyl)-5-phenyl-1,3,4-thiadiazole
CID 157204141
1-[2-(4-bromophenyl)-1,3-thiazol-5-yl]ethanol
CID 62652128
1-[2-(4-fluorophenyl)-1,3-thiazol-5-yl]ethanol
CID 62651773
2-(3,5-dichlorophenyl)-5-propan-2-yl-1,3-thiazole
CID 107918368
2,4-bis[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]pentan-3-one
CID 152700854

Frequently Asked Questions

What is the IUPAC name of 5-(3,3-dimethylbutan-2-yl)-2-(6-methyl-3-pyridinyl)-1,3-thiazole?
The IUPAC name of 5-(3,3-dimethylbutan-2-yl)-2-(6-methyl-3-pyridinyl)-1,3-thiazole (CID 130390654) is 5-(3,3-dimethylbutan-2-yl)-2-(6-methyl-3-pyridinyl)-1,3-thiazole.
What is the SMILES notation for 5-(3,3-dimethylbutan-2-yl)-2-(6-methyl-3-pyridinyl)-1,3-thiazole?
The canonical SMILES for 5-(3,3-dimethylbutan-2-yl)-2-(6-methyl-3-pyridinyl)-1,3-thiazole is Cc1ccc(-c2ncc(C(C)C(C)(C)C)s2)cn1.
What is the InChIKey of 5-(3,3-dimethylbutan-2-yl)-2-(6-methyl-3-pyridinyl)-1,3-thiazole?
The InChIKey is AODIIACNLPNKLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2S/c1-10-6-7-12(8-16-10)14-17-9-13(18-14)11(2)15(3,4)5/h6-9,11H,1-5H3.
What are the key properties of 5-(3,3-dimethylbutan-2-yl)-2-(6-methyl-3-pyridinyl)-1,3-thiazole?
5-(3,3-dimethylbutan-2-yl)-2-(6-methyl-3-pyridinyl)-1,3-thiazole has a molecular weight of 260.41 g/mol, XLogP of 4.66, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,3-dimethylbutan-2-yl)-2-(6-methyl-3-pyridinyl)-1,3-thiazole is sourced from PubChem (CID 130390654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).