5-tert-butyl-1-methylpyrazole;5-tert-butyl-1,3-thiazole

C15H25N3S — CID 165104302

IUPAC5-tert-butyl-1-methylpyrazole;5-tert-butyl-1,3-thiazole
SMILESCC(C)(C)c1cncs1.Cn1nccc1C(C)(C)C
InChIInChI=1S/C8H14N2.C7H11NS/c1-8(2,3)7-5-6-9-10(7)4;1-7(2,3)6-4-8-5-9-6/h5-6H,1-4H3;4-5H,1-3H3
InChIKeyYWHUQJJRWXUGHB-UHFFFAOYSA-N
MW279.45 g/mol
LogP4.16
Rot. Bonds

About 5-tert-butyl-1-methylpyrazole;5-tert-butyl-1,3-thiazole

5-tert-butyl-1-methylpyrazole;5-tert-butyl-1,3-thiazole (PubChem CID 165104302) has the molecular formula C15H25N3S and a molecular weight of 279.45 g/mol. Its IUPAC name is 5-tert-butyl-1-methylpyrazole;5-tert-butyl-1,3-thiazole.

Molecular Properties

Compound Name5-tert-butyl-1-methylpyrazole;5-tert-butyl-1,3-thiazole
PubChem CID165104302
Molecular FormulaC15H25N3S
Molecular Weight279.45 g/mol
Exact Mass279.18
IUPAC Name5-tert-butyl-1-methylpyrazole;5-tert-butyl-1,3-thiazole
SMILESCC(C)(C)c1cncs1.Cn1nccc1C(C)(C)C
InChIInChI=1S/C8H14N2.C7H11NS/c1-8(2,3)7-5-6-9-10(7)4;1-7(2,3)6-4-8-5-9-6/h5-6H,1-4H3;4-5H,1-3H3
InChIKeyYWHUQJJRWXUGHB-UHFFFAOYSA-N
XLogP4.16
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.45
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Launch Full Analysis

Related Compounds

5-(2-iodopropan-2-yl)-1-methylpyrazole
CID 129132491
2-fluoro-3,3-dimethyl-2-(2-methylpyrazol-3-yl)butan-1-amine
CID 112566609
2-methyl-2-(2-methylpyrazol-3-yl)propanoic acid
CID 63963504
5-[1-[5-[1-(5-tert-butylthiophen-3-yl)-2-methylpropan-2-yl]-1-methylimidazol-2-yl]-2-methylpropan-2-yl]-1,3-thiazole
CID 166704258
1-amino-2-(2-methylpyrazol-3-yl)propan-2-ol
CID 66039354
3-methyl-3-(2-methylpyrazol-3-yl)butan-1-amine
CID 81014461
5-(trichloromethyl)-1,3-thiazole
CID 150441308
1-(methylamino)-2-(2-methylpyrazol-3-yl)propan-2-ol
CID 66036986
1-methyl-5-(2-pyrrolidin-3-ylpropan-2-yl)pyrazole
CID 83907630
2-methyl-2-(2-methylpyrazol-3-yl)butanoic acid
CID 83828501
5-tert-butyl-4-methyl-1,3-oxazole;5-tert-butyl-1-methylpyrazole;5-tert-butyl-1,3-oxazole;4-tert-butyl-1H-pyrazole
CID 158824181
1-(3,4-dimethylphenyl)-1-(2-methylpyrazol-3-yl)ethanol
CID 63963688

Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-1-methylpyrazole;5-tert-butyl-1,3-thiazole?
The IUPAC name of 5-tert-butyl-1-methylpyrazole;5-tert-butyl-1,3-thiazole (CID 165104302) is 5-tert-butyl-1-methylpyrazole;5-tert-butyl-1,3-thiazole.
What is the SMILES notation for 5-tert-butyl-1-methylpyrazole;5-tert-butyl-1,3-thiazole?
The canonical SMILES for 5-tert-butyl-1-methylpyrazole;5-tert-butyl-1,3-thiazole is CC(C)(C)c1cncs1.Cn1nccc1C(C)(C)C.
What is the InChIKey of 5-tert-butyl-1-methylpyrazole;5-tert-butyl-1,3-thiazole?
The InChIKey is YWHUQJJRWXUGHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2.C7H11NS/c1-8(2,3)7-5-6-9-10(7)4;1-7(2,3)6-4-8-5-9-6/h5-6H,1-4H3;4-5H,1-3H3.
What are the key properties of 5-tert-butyl-1-methylpyrazole;5-tert-butyl-1,3-thiazole?
5-tert-butyl-1-methylpyrazole;5-tert-butyl-1,3-thiazole has a molecular weight of 279.45 g/mol, XLogP of 4.16, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-1-methylpyrazole;5-tert-butyl-1,3-thiazole is sourced from PubChem (CID 165104302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).