3-butan-2-yl-5,5-dimethyl-1,3-thiazolidine

C9H19NS — CID 18185947

IUPAC3-butan-2-yl-5,5-dimethyl-1,3-thiazolidine
SMILESCCC(C)N1CSC(C)(C)C1
InChIInChI=1S/C9H19NS/c1-5-8(2)10-6-9(3,4)11-7-10/h8H,5-7H2,1-4H3
InChIKeyNYKFYBOLVZLDQD-UHFFFAOYSA-N
MW173.32 g/mol
LogP2.57
Rot. Bonds2

About 3-butan-2-yl-5,5-dimethyl-1,3-thiazolidine

3-butan-2-yl-5,5-dimethyl-1,3-thiazolidine (PubChem CID 18185947) has the molecular formula C9H19NS and a molecular weight of 173.32 g/mol. Its IUPAC name is 3-butan-2-yl-5,5-dimethyl-1,3-thiazolidine.

Molecular Properties

Compound Name3-butan-2-yl-5,5-dimethyl-1,3-thiazolidine
PubChem CID18185947
Molecular FormulaC9H19NS
Molecular Weight173.32 g/mol
Exact Mass173.12
IUPAC Name3-butan-2-yl-5,5-dimethyl-1,3-thiazolidine
SMILESCCC(C)N1CSC(C)(C)C1
InChIInChI=1S/C9H19NS/c1-5-8(2)10-6-9(3,4)11-7-10/h8H,5-7H2,1-4H3
InChIKeyNYKFYBOLVZLDQD-UHFFFAOYSA-N
XLogP2.57
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.32
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3,4,5,5-Tetramethylthiazolidine
CID 22977714
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2,2,5-Trimethyl-3-ethylthiazolidine
CID 12654790
3,5,5-Trimethyl-1,3-thiazolidine
CID 9833962
5,5-Dimethyl-3-(2-methylpropyl)-1,3-thiazolidine
CID 9898960
3-Propan-2-yl-1,3-thiazolidine
CID 15163848
3-Butan-2-yl-1,3-thiazolidine
CID 15163850
3-Butan-2-yl-5,5-dimethyl-2-propan-2-yl-1,3-thiazolidine
CID 18185948
3-(2,2-Dimethylpropyl)-1,3-thiazolidine
CID 21060357
5,5-Dimethyl-3-propan-2-yl-1,3-thiazolidine-2-thione
CID 21324730
2,2,3,5,5-Pentamethyl-1,3-thiazolidine
CID 54468738
3-Tert-butyl-4-propan-2-yl-1,3-thiazolidine
CID 58403895

Frequently Asked Questions

What is the IUPAC name of 3-butan-2-yl-5,5-dimethyl-1,3-thiazolidine?
The IUPAC name of 3-butan-2-yl-5,5-dimethyl-1,3-thiazolidine (CID 18185947) is 3-butan-2-yl-5,5-dimethyl-1,3-thiazolidine.
What is the SMILES notation for 3-butan-2-yl-5,5-dimethyl-1,3-thiazolidine?
The canonical SMILES for 3-butan-2-yl-5,5-dimethyl-1,3-thiazolidine is CCC(C)N1CSC(C)(C)C1.
What is the InChIKey of 3-butan-2-yl-5,5-dimethyl-1,3-thiazolidine?
The InChIKey is NYKFYBOLVZLDQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NS/c1-5-8(2)10-6-9(3,4)11-7-10/h8H,5-7H2,1-4H3.
What are the key properties of 3-butan-2-yl-5,5-dimethyl-1,3-thiazolidine?
3-butan-2-yl-5,5-dimethyl-1,3-thiazolidine has a molecular weight of 173.32 g/mol, XLogP of 2.57, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butan-2-yl-5,5-dimethyl-1,3-thiazolidine is sourced from PubChem (CID 18185947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).