ethane;2-(2-methylbutan-2-yl)-1,3-thiazole

C12H25NS — CID 143011926

IUPACethane;2-(2-methylbutan-2-yl)-1,3-thiazole
SMILESCC.CC.CCC(C)(C)c1nccs1
InChIInChI=1S/C8H13NS.2C2H6/c1-4-8(2,3)7-9-5-6-10-7;2*1-2/h5-6H,4H2,1-3H3;2*1-2H3
InChIKeyLLLVEKXBTGPYHQ-UHFFFAOYSA-N
MW215.41 g/mol
LogP4.88
Rot. Bonds2

About ethane;2-(2-methylbutan-2-yl)-1,3-thiazole

ethane;2-(2-methylbutan-2-yl)-1,3-thiazole (PubChem CID 143011926) has the molecular formula C12H25NS and a molecular weight of 215.41 g/mol. Its IUPAC name is ethane;2-(2-methylbutan-2-yl)-1,3-thiazole.

Molecular Properties

Compound Nameethane;2-(2-methylbutan-2-yl)-1,3-thiazole
PubChem CID143011926
Molecular FormulaC12H25NS
Molecular Weight215.41 g/mol
Exact Mass215.17
IUPAC Nameethane;2-(2-methylbutan-2-yl)-1,3-thiazole
SMILESCC.CC.CCC(C)(C)c1nccs1
InChIInChI=1S/C8H13NS.2C2H6/c1-4-8(2,3)7-9-5-6-10-7;2*1-2/h5-6H,4H2,1-3H3;2*1-2H3
InChIKeyLLLVEKXBTGPYHQ-UHFFFAOYSA-N
XLogP4.88
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.41
LogP ≤ 54.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-2-(1,3-thiazol-2-yl)butanoic acid
CID 130545087
methyl 3-amino-3-(1,3-thiazol-2-yl)butanoate
CID 79848838
1-amino-2-(1,3-thiazol-2-yl)propan-2-ol
CID 45121741
2-methyl-1-(1,3-thiazol-2-yl)butan-2-ol
CID 79819044
N-(2-methoxyethyl)-3-(1,3-thiazol-2-yl)pentan-3-amine
CID 62542781
methyl 2-methyl-2-(1,3-thiazol-2-yl)propanoate
CID 116987083
ethane;2-methyl-1,3-thiazole;propane
CID 143558084
2-chloro-N-[2-(1,3-thiazol-2-yl)butan-2-yl]acetamide
CID 146085866
(2R)-2-amino-2-(1,3-thiazol-2-yl)propanoic acid
CID 66644727
(2R)-2-(1,3-thiazol-2-yl)but-3-en-2-amine
CID 130857247
2-methyl-2-[2-(1,3-thiazol-2-yl)propan-2-ylcarbamoylamino]butanoic acid
CID 114131819
N-[(3,5-difluorophenyl)methyl]-2-(1,3-thiazol-2-yl)butan-2-amine
CID 122132301

Frequently Asked Questions

What is the IUPAC name of ethane;2-(2-methylbutan-2-yl)-1,3-thiazole?
The IUPAC name of ethane;2-(2-methylbutan-2-yl)-1,3-thiazole (CID 143011926) is ethane;2-(2-methylbutan-2-yl)-1,3-thiazole.
What is the SMILES notation for ethane;2-(2-methylbutan-2-yl)-1,3-thiazole?
The canonical SMILES for ethane;2-(2-methylbutan-2-yl)-1,3-thiazole is CC.CC.CCC(C)(C)c1nccs1.
What is the InChIKey of ethane;2-(2-methylbutan-2-yl)-1,3-thiazole?
The InChIKey is LLLVEKXBTGPYHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NS.2C2H6/c1-4-8(2,3)7-9-5-6-10-7;2*1-2/h5-6H,4H2,1-3H3;2*1-2H3.
What are the key properties of ethane;2-(2-methylbutan-2-yl)-1,3-thiazole?
ethane;2-(2-methylbutan-2-yl)-1,3-thiazole has a molecular weight of 215.41 g/mol, XLogP of 4.88, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-(2-methylbutan-2-yl)-1,3-thiazole is sourced from PubChem (CID 143011926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).