2-cyclohexyl-5-(2-cyclopropylsulfanyl-4-pyridin-2-yloxyphenyl)-1,3-thiazole

C23H24N2OS2 — CID 167262626

IUPAC2-cyclohexyl-5-(2-cyclopropylsulfanyl-4-pyridin-2-yloxyphenyl)-1,3-thiazole
SMILESc1ccc(Oc2ccc(-c3cnc(C4CCCCC4)s3)c(SC3CC3)c2)nc1
InChIInChI=1S/C23H24N2OS2/c1-2-6-16(7-3-1)23-25-15-21(28-23)19-12-9-17(14-20(19)27-18-10-11-18)26-22-8-4-5-13-24-22/h4-5,8-9,12-16,18H,1-3,6-7,10-11H2
InChIKeyRFRAPQIMYNYUHB-UHFFFAOYSA-N
MW408.59 g/mol
LogP7.30
Rot. Bonds6

About 2-cyclohexyl-5-(2-cyclopropylsulfanyl-4-pyridin-2-yloxyphenyl)-1,3-thiazole

2-cyclohexyl-5-(2-cyclopropylsulfanyl-4-pyridin-2-yloxyphenyl)-1,3-thiazole (PubChem CID 167262626) has the molecular formula C23H24N2OS2 and a molecular weight of 408.59 g/mol. Its IUPAC name is 2-cyclohexyl-5-(2-cyclopropylsulfanyl-4-pyridin-2-yloxyphenyl)-1,3-thiazole.

Molecular Properties

Compound Name2-cyclohexyl-5-(2-cyclopropylsulfanyl-4-pyridin-2-yloxyphenyl)-1,3-thiazole
PubChem CID167262626
Molecular FormulaC23H24N2OS2
Molecular Weight408.59 g/mol
Exact Mass408.13
IUPAC Name2-cyclohexyl-5-(2-cyclopropylsulfanyl-4-pyridin-2-yloxyphenyl)-1,3-thiazole
SMILESc1ccc(Oc2ccc(-c3cnc(C4CCCCC4)s3)c(SC3CC3)c2)nc1
InChIInChI=1S/C23H24N2OS2/c1-2-6-16(7-3-1)23-25-15-21(28-23)19-12-9-17(14-20(19)27-18-10-11-18)26-22-8-4-5-13-24-22/h4-5,8-9,12-16,18H,1-3,6-7,10-11H2
InChIKeyRFRAPQIMYNYUHB-UHFFFAOYSA-N
XLogP7.30
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.59
LogP ≤ 57.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-5-(2-cyclopropylsulfanyl-4-pyridin-2-yloxyphenyl)-1,3-thiazole?
The IUPAC name of 2-cyclohexyl-5-(2-cyclopropylsulfanyl-4-pyridin-2-yloxyphenyl)-1,3-thiazole (CID 167262626) is 2-cyclohexyl-5-(2-cyclopropylsulfanyl-4-pyridin-2-yloxyphenyl)-1,3-thiazole.
What is the SMILES notation for 2-cyclohexyl-5-(2-cyclopropylsulfanyl-4-pyridin-2-yloxyphenyl)-1,3-thiazole?
The canonical SMILES for 2-cyclohexyl-5-(2-cyclopropylsulfanyl-4-pyridin-2-yloxyphenyl)-1,3-thiazole is c1ccc(Oc2ccc(-c3cnc(C4CCCCC4)s3)c(SC3CC3)c2)nc1.
What is the InChIKey of 2-cyclohexyl-5-(2-cyclopropylsulfanyl-4-pyridin-2-yloxyphenyl)-1,3-thiazole?
The InChIKey is RFRAPQIMYNYUHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2OS2/c1-2-6-16(7-3-1)23-25-15-21(28-23)19-12-9-17(14-20(19)27-18-10-11-18)26-22-8-4-5-13-24-22/h4-5,8-9,12-16,18H,1-3,6-7,10-11H2.
What are the key properties of 2-cyclohexyl-5-(2-cyclopropylsulfanyl-4-pyridin-2-yloxyphenyl)-1,3-thiazole?
2-cyclohexyl-5-(2-cyclopropylsulfanyl-4-pyridin-2-yloxyphenyl)-1,3-thiazole has a molecular weight of 408.59 g/mol, XLogP of 7.30, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-5-(2-cyclopropylsulfanyl-4-pyridin-2-yloxyphenyl)-1,3-thiazole is sourced from PubChem (CID 167262626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).