4-(4,4-difluorocyclohexyl)-2-(oxolan-2-ylmethyl)-1,3-thiazole

C14H19F2NOS — CID 154797884

IUPAC4-(4,4-difluorocyclohexyl)-2-(oxolan-2-ylmethyl)-1,3-thiazole
SMILESFC1(F)CCC(c2csc(CC3CCCO3)n2)CC1
InChIInChI=1S/C14H19F2NOS/c15-14(16)5-3-10(4-6-14)12-9-19-13(17-12)8-11-2-1-7-18-11/h9-11H,1-8H2
InChIKeyPBGHFLCCQFAYEX-UHFFFAOYSA-N
MW287.38 g/mol
LogP4.16
Rot. Bonds3

About 4-(4,4-difluorocyclohexyl)-2-(oxolan-2-ylmethyl)-1,3-thiazole

4-(4,4-difluorocyclohexyl)-2-(oxolan-2-ylmethyl)-1,3-thiazole (PubChem CID 154797884) has the molecular formula C14H19F2NOS and a molecular weight of 287.38 g/mol. Its IUPAC name is 4-(4,4-difluorocyclohexyl)-2-(oxolan-2-ylmethyl)-1,3-thiazole.

Molecular Properties

Compound Name4-(4,4-difluorocyclohexyl)-2-(oxolan-2-ylmethyl)-1,3-thiazole
PubChem CID154797884
Molecular FormulaC14H19F2NOS
Molecular Weight287.38 g/mol
Exact Mass287.12
IUPAC Name4-(4,4-difluorocyclohexyl)-2-(oxolan-2-ylmethyl)-1,3-thiazole
SMILESFC1(F)CCC(c2csc(CC3CCCO3)n2)CC1
InChIInChI=1S/C14H19F2NOS/c15-14(16)5-3-10(4-6-14)12-9-19-13(17-12)8-11-2-1-7-18-11/h9-11H,1-8H2
InChIKeyPBGHFLCCQFAYEX-UHFFFAOYSA-N
XLogP4.16
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.38
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(4,4-difluorocyclohexyl)-2-(oxolan-2-ylmethyl)-1,3-thiazole?
The IUPAC name of 4-(4,4-difluorocyclohexyl)-2-(oxolan-2-ylmethyl)-1,3-thiazole (CID 154797884) is 4-(4,4-difluorocyclohexyl)-2-(oxolan-2-ylmethyl)-1,3-thiazole.
What is the SMILES notation for 4-(4,4-difluorocyclohexyl)-2-(oxolan-2-ylmethyl)-1,3-thiazole?
The canonical SMILES for 4-(4,4-difluorocyclohexyl)-2-(oxolan-2-ylmethyl)-1,3-thiazole is FC1(F)CCC(c2csc(CC3CCCO3)n2)CC1.
What is the InChIKey of 4-(4,4-difluorocyclohexyl)-2-(oxolan-2-ylmethyl)-1,3-thiazole?
The InChIKey is PBGHFLCCQFAYEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F2NOS/c15-14(16)5-3-10(4-6-14)12-9-19-13(17-12)8-11-2-1-7-18-11/h9-11H,1-8H2.
What are the key properties of 4-(4,4-difluorocyclohexyl)-2-(oxolan-2-ylmethyl)-1,3-thiazole?
4-(4,4-difluorocyclohexyl)-2-(oxolan-2-ylmethyl)-1,3-thiazole has a molecular weight of 287.38 g/mol, XLogP of 4.16, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4,4-difluorocyclohexyl)-2-(oxolan-2-ylmethyl)-1,3-thiazole is sourced from PubChem (CID 154797884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).