2-ethyl-4,4-dimethyl-2-propan-2-yl-1,3-thiazolidine

C10H21NS — CID 80500631

IUPAC2-ethyl-4,4-dimethyl-2-propan-2-yl-1,3-thiazolidine
SMILESCCC1(C(C)C)NC(C)(C)CS1
InChIInChI=1S/C10H21NS/c1-6-10(8(2)3)11-9(4,5)7-12-10/h8,11H,6-7H2,1-5H3
InChIKeyYGSNKFLXIZKBNW-UHFFFAOYSA-N
MW187.35 g/mol
LogP2.86
Rot. Bonds2

About 2-ethyl-4,4-dimethyl-2-propan-2-yl-1,3-thiazolidine

2-ethyl-4,4-dimethyl-2-propan-2-yl-1,3-thiazolidine (PubChem CID 80500631) has the molecular formula C10H21NS and a molecular weight of 187.35 g/mol. Its IUPAC name is 2-ethyl-4,4-dimethyl-2-propan-2-yl-1,3-thiazolidine.

Molecular Properties

Compound Name2-ethyl-4,4-dimethyl-2-propan-2-yl-1,3-thiazolidine
PubChem CID80500631
Molecular FormulaC10H21NS
Molecular Weight187.35 g/mol
Exact Mass187.14
IUPAC Name2-ethyl-4,4-dimethyl-2-propan-2-yl-1,3-thiazolidine
SMILESCCC1(C(C)C)NC(C)(C)CS1
InChIInChI=1S/C10H21NS/c1-6-10(8(2)3)11-9(4,5)7-12-10/h8,11H,6-7H2,1-5H3
InChIKeyYGSNKFLXIZKBNW-UHFFFAOYSA-N
XLogP2.86
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.35
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-4,4-dimethyl-2-propan-2-yl-1,3-thiazolidine?
The IUPAC name of 2-ethyl-4,4-dimethyl-2-propan-2-yl-1,3-thiazolidine (CID 80500631) is 2-ethyl-4,4-dimethyl-2-propan-2-yl-1,3-thiazolidine.
What is the SMILES notation for 2-ethyl-4,4-dimethyl-2-propan-2-yl-1,3-thiazolidine?
The canonical SMILES for 2-ethyl-4,4-dimethyl-2-propan-2-yl-1,3-thiazolidine is CCC1(C(C)C)NC(C)(C)CS1.
What is the InChIKey of 2-ethyl-4,4-dimethyl-2-propan-2-yl-1,3-thiazolidine?
The InChIKey is YGSNKFLXIZKBNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NS/c1-6-10(8(2)3)11-9(4,5)7-12-10/h8,11H,6-7H2,1-5H3.
What are the key properties of 2-ethyl-4,4-dimethyl-2-propan-2-yl-1,3-thiazolidine?
2-ethyl-4,4-dimethyl-2-propan-2-yl-1,3-thiazolidine has a molecular weight of 187.35 g/mol, XLogP of 2.86, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-4,4-dimethyl-2-propan-2-yl-1,3-thiazolidine is sourced from PubChem (CID 80500631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).