ethane;4-ethyl-5-methyl-2-(2-methylpropyl)-1,3-thiazole

C12H23NS — CID 143926152

IUPACethane;4-ethyl-5-methyl-2-(2-methylpropyl)-1,3-thiazole
SMILESCC.CCc1nc(CC(C)C)sc1C
InChIInChI=1S/C10H17NS.C2H6/c1-5-9-8(4)12-10(11-9)6-7(2)3;1-2/h7H,5-6H2,1-4H3;1-2H3
InChIKeyBUKKQWCNEKVRJQ-UHFFFAOYSA-N
MW213.39 g/mol
LogP4.24
Rot. Bonds3

About ethane;4-ethyl-5-methyl-2-(2-methylpropyl)-1,3-thiazole

ethane;4-ethyl-5-methyl-2-(2-methylpropyl)-1,3-thiazole (PubChem CID 143926152) has the molecular formula C12H23NS and a molecular weight of 213.39 g/mol. Its IUPAC name is ethane;4-ethyl-5-methyl-2-(2-methylpropyl)-1,3-thiazole.

Molecular Properties

Compound Nameethane;4-ethyl-5-methyl-2-(2-methylpropyl)-1,3-thiazole
PubChem CID143926152
Molecular FormulaC12H23NS
Molecular Weight213.39 g/mol
Exact Mass213.16
IUPAC Nameethane;4-ethyl-5-methyl-2-(2-methylpropyl)-1,3-thiazole
SMILESCC.CCc1nc(CC(C)C)sc1C
InChIInChI=1S/C10H17NS.C2H6/c1-5-9-8(4)12-10(11-9)6-7(2)3;1-2/h7H,5-6H2,1-4H3;1-2H3
InChIKeyBUKKQWCNEKVRJQ-UHFFFAOYSA-N
XLogP4.24
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.39
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of ethane;4-ethyl-5-methyl-2-(2-methylpropyl)-1,3-thiazole?
The IUPAC name of ethane;4-ethyl-5-methyl-2-(2-methylpropyl)-1,3-thiazole (CID 143926152) is ethane;4-ethyl-5-methyl-2-(2-methylpropyl)-1,3-thiazole.
What is the SMILES notation for ethane;4-ethyl-5-methyl-2-(2-methylpropyl)-1,3-thiazole?
The canonical SMILES for ethane;4-ethyl-5-methyl-2-(2-methylpropyl)-1,3-thiazole is CC.CCc1nc(CC(C)C)sc1C.
What is the InChIKey of ethane;4-ethyl-5-methyl-2-(2-methylpropyl)-1,3-thiazole?
The InChIKey is BUKKQWCNEKVRJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NS.C2H6/c1-5-9-8(4)12-10(11-9)6-7(2)3;1-2/h7H,5-6H2,1-4H3;1-2H3.
What are the key properties of ethane;4-ethyl-5-methyl-2-(2-methylpropyl)-1,3-thiazole?
ethane;4-ethyl-5-methyl-2-(2-methylpropyl)-1,3-thiazole has a molecular weight of 213.39 g/mol, XLogP of 4.24, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-ethyl-5-methyl-2-(2-methylpropyl)-1,3-thiazole is sourced from PubChem (CID 143926152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).