2-cyclohexyl-4-[(3,5-dimethylpyrazol-1-yl)methyl]-1,3-thiazole

C15H21N3S — CID 91643237

IUPAC2-cyclohexyl-4-[(3,5-dimethylpyrazol-1-yl)methyl]-1,3-thiazole
SMILESCc1cc(C)n(Cc2csc(C3CCCCC3)n2)n1
InChIInChI=1S/C15H21N3S/c1-11-8-12(2)18(17-11)9-14-10-19-15(16-14)13-6-4-3-5-7-13/h8,10,13H,3-7,9H2,1-2H3
InChIKeyDJTZAOQKTUYOSD-UHFFFAOYSA-N
MW275.42 g/mol
LogP4.05
Rot. Bonds3

About 2-cyclohexyl-4-[(3,5-dimethylpyrazol-1-yl)methyl]-1,3-thiazole

2-cyclohexyl-4-[(3,5-dimethylpyrazol-1-yl)methyl]-1,3-thiazole (PubChem CID 91643237) has the molecular formula C15H21N3S and a molecular weight of 275.42 g/mol. Its IUPAC name is 2-cyclohexyl-4-[(3,5-dimethylpyrazol-1-yl)methyl]-1,3-thiazole.

Molecular Properties

Compound Name2-cyclohexyl-4-[(3,5-dimethylpyrazol-1-yl)methyl]-1,3-thiazole
PubChem CID91643237
Molecular FormulaC15H21N3S
Molecular Weight275.42 g/mol
Exact Mass275.15
IUPAC Name2-cyclohexyl-4-[(3,5-dimethylpyrazol-1-yl)methyl]-1,3-thiazole
SMILESCc1cc(C)n(Cc2csc(C3CCCCC3)n2)n1
InChIInChI=1S/C15H21N3S/c1-11-8-12(2)18(17-11)9-14-10-19-15(16-14)13-6-4-3-5-7-13/h8,10,13H,3-7,9H2,1-2H3
InChIKeyDJTZAOQKTUYOSD-UHFFFAOYSA-N
XLogP4.05
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.42
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-4-[(3,5-dimethylpyrazol-1-yl)methyl]-1,3-thiazole?
The IUPAC name of 2-cyclohexyl-4-[(3,5-dimethylpyrazol-1-yl)methyl]-1,3-thiazole (CID 91643237) is 2-cyclohexyl-4-[(3,5-dimethylpyrazol-1-yl)methyl]-1,3-thiazole.
What is the SMILES notation for 2-cyclohexyl-4-[(3,5-dimethylpyrazol-1-yl)methyl]-1,3-thiazole?
The canonical SMILES for 2-cyclohexyl-4-[(3,5-dimethylpyrazol-1-yl)methyl]-1,3-thiazole is Cc1cc(C)n(Cc2csc(C3CCCCC3)n2)n1.
What is the InChIKey of 2-cyclohexyl-4-[(3,5-dimethylpyrazol-1-yl)methyl]-1,3-thiazole?
The InChIKey is DJTZAOQKTUYOSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3S/c1-11-8-12(2)18(17-11)9-14-10-19-15(16-14)13-6-4-3-5-7-13/h8,10,13H,3-7,9H2,1-2H3.
What are the key properties of 2-cyclohexyl-4-[(3,5-dimethylpyrazol-1-yl)methyl]-1,3-thiazole?
2-cyclohexyl-4-[(3,5-dimethylpyrazol-1-yl)methyl]-1,3-thiazole has a molecular weight of 275.42 g/mol, XLogP of 4.05, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-4-[(3,5-dimethylpyrazol-1-yl)methyl]-1,3-thiazole is sourced from PubChem (CID 91643237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).