(3-methylcyclohexyl) 2-(2-propan-2-yl-1,3-thiazol-4-yl)acetate

C15H23NO2S — CID 78874043

IUPAC(3-methylcyclohexyl) 2-(2-propan-2-yl-1,3-thiazol-4-yl)acetate
SMILESCC1CCCC(OC(=O)Cc2csc(C(C)C)n2)C1
InChIInChI=1S/C15H23NO2S/c1-10(2)15-16-12(9-19-15)8-14(17)18-13-6-4-5-11(3)7-13/h9-11,13H,4-8H2,1-3H3
InChIKeyUSJZCMWOYAXKHG-UHFFFAOYSA-N
MW281.42 g/mol
LogP3.93
Rot. Bonds4

About (3-methylcyclohexyl) 2-(2-propan-2-yl-1,3-thiazol-4-yl)acetate

(3-methylcyclohexyl) 2-(2-propan-2-yl-1,3-thiazol-4-yl)acetate (PubChem CID 78874043) has the molecular formula C15H23NO2S and a molecular weight of 281.42 g/mol. Its IUPAC name is (3-methylcyclohexyl) 2-(2-propan-2-yl-1,3-thiazol-4-yl)acetate.

Molecular Properties

Compound Name(3-methylcyclohexyl) 2-(2-propan-2-yl-1,3-thiazol-4-yl)acetate
PubChem CID78874043
Molecular FormulaC15H23NO2S
Molecular Weight281.42 g/mol
Exact Mass281.14
IUPAC Name(3-methylcyclohexyl) 2-(2-propan-2-yl-1,3-thiazol-4-yl)acetate
SMILESCC1CCCC(OC(=O)Cc2csc(C(C)C)n2)C1
InChIInChI=1S/C15H23NO2S/c1-10(2)15-16-12(9-19-15)8-14(17)18-13-6-4-5-11(3)7-13/h9-11,13H,4-8H2,1-3H3
InChIKeyUSJZCMWOYAXKHG-UHFFFAOYSA-N
XLogP3.93
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.42
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3-methylcyclohexyl) 2-(2-propan-2-yl-1,3-thiazol-4-yl)acetate?
The IUPAC name of (3-methylcyclohexyl) 2-(2-propan-2-yl-1,3-thiazol-4-yl)acetate (CID 78874043) is (3-methylcyclohexyl) 2-(2-propan-2-yl-1,3-thiazol-4-yl)acetate.
What is the SMILES notation for (3-methylcyclohexyl) 2-(2-propan-2-yl-1,3-thiazol-4-yl)acetate?
The canonical SMILES for (3-methylcyclohexyl) 2-(2-propan-2-yl-1,3-thiazol-4-yl)acetate is CC1CCCC(OC(=O)Cc2csc(C(C)C)n2)C1.
What is the InChIKey of (3-methylcyclohexyl) 2-(2-propan-2-yl-1,3-thiazol-4-yl)acetate?
The InChIKey is USJZCMWOYAXKHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2S/c1-10(2)15-16-12(9-19-15)8-14(17)18-13-6-4-5-11(3)7-13/h9-11,13H,4-8H2,1-3H3.
What are the key properties of (3-methylcyclohexyl) 2-(2-propan-2-yl-1,3-thiazol-4-yl)acetate?
(3-methylcyclohexyl) 2-(2-propan-2-yl-1,3-thiazol-4-yl)acetate has a molecular weight of 281.42 g/mol, XLogP of 3.93, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methylcyclohexyl) 2-(2-propan-2-yl-1,3-thiazol-4-yl)acetate is sourced from PubChem (CID 78874043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).