2,5-dimethyl-1,3-thiazole;ethane;2-methylspiro[3.3]heptane

C17H33NS — CID 166457843

IUPAC2,5-dimethyl-1,3-thiazole;ethane;2-methylspiro[3.3]heptane
SMILESCC.CC.CC1CC2(CCC2)C1.Cc1cnc(C)s1
InChIInChI=1S/C8H14.C5H7NS.2C2H6/c1-7-5-8(6-7)3-2-4-8;1-4-3-6-5(2)7-4;2*1-2/h7H,2-6H2,1H3;3H,1-2H3;2*1-2H3
InChIKeyFLWKSADIAVQCQX-UHFFFAOYSA-N
MW283.52 g/mol
LogP6.40
Rot. Bonds

About 2,5-dimethyl-1,3-thiazole;ethane;2-methylspiro[3.3]heptane

2,5-dimethyl-1,3-thiazole;ethane;2-methylspiro[3.3]heptane (PubChem CID 166457843) has the molecular formula C17H33NS and a molecular weight of 283.52 g/mol. Its IUPAC name is 2,5-dimethyl-1,3-thiazole;ethane;2-methylspiro[3.3]heptane.

Molecular Properties

Compound Name2,5-dimethyl-1,3-thiazole;ethane;2-methylspiro[3.3]heptane
PubChem CID166457843
Molecular FormulaC17H33NS
Molecular Weight283.52 g/mol
Exact Mass283.23
IUPAC Name2,5-dimethyl-1,3-thiazole;ethane;2-methylspiro[3.3]heptane
SMILESCC.CC.CC1CC2(CCC2)C1.Cc1cnc(C)s1
InChIInChI=1S/C8H14.C5H7NS.2C2H6/c1-7-5-8(6-7)3-2-4-8;1-4-3-6-5(2)7-4;2*1-2/h7H,2-6H2,1H3;3H,1-2H3;2*1-2H3
InChIKeyFLWKSADIAVQCQX-UHFFFAOYSA-N
XLogP6.40
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500283.52
LogP ≤ 56.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-1,3-thiazole;ethane;2-methylspiro[3.3]heptane?
The IUPAC name of 2,5-dimethyl-1,3-thiazole;ethane;2-methylspiro[3.3]heptane (CID 166457843) is 2,5-dimethyl-1,3-thiazole;ethane;2-methylspiro[3.3]heptane.
What is the SMILES notation for 2,5-dimethyl-1,3-thiazole;ethane;2-methylspiro[3.3]heptane?
The canonical SMILES for 2,5-dimethyl-1,3-thiazole;ethane;2-methylspiro[3.3]heptane is CC.CC.CC1CC2(CCC2)C1.Cc1cnc(C)s1.
What is the InChIKey of 2,5-dimethyl-1,3-thiazole;ethane;2-methylspiro[3.3]heptane?
The InChIKey is FLWKSADIAVQCQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14.C5H7NS.2C2H6/c1-7-5-8(6-7)3-2-4-8;1-4-3-6-5(2)7-4;2*1-2/h7H,2-6H2,1H3;3H,1-2H3;2*1-2H3.
What are the key properties of 2,5-dimethyl-1,3-thiazole;ethane;2-methylspiro[3.3]heptane?
2,5-dimethyl-1,3-thiazole;ethane;2-methylspiro[3.3]heptane has a molecular weight of 283.52 g/mol, XLogP of 6.40, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-1,3-thiazole;ethane;2-methylspiro[3.3]heptane is sourced from PubChem (CID 166457843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).