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

C15H21F2NOS — CID 166314800

IUPAC2-(2,2-difluorocyclohexyl)-4-(oxan-4-ylmethyl)-1,3-thiazole
SMILESFC1(F)CCCCC1c1nc(CC2CCOCC2)cs1
InChIInChI=1S/C15H21F2NOS/c16-15(17)6-2-1-3-13(15)14-18-12(10-20-14)9-11-4-7-19-8-5-11/h10-11,13H,1-9H2
InChIKeyHDMALPQHENIJJM-UHFFFAOYSA-N
MW301.40 g/mol
LogP4.41
Rot. Bonds3

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

2-(2,2-difluorocyclohexyl)-4-(oxan-4-ylmethyl)-1,3-thiazole (PubChem CID 166314800) has the molecular formula C15H21F2NOS and a molecular weight of 301.40 g/mol. Its IUPAC name is 2-(2,2-difluorocyclohexyl)-4-(oxan-4-ylmethyl)-1,3-thiazole.

Molecular Properties

Compound Name2-(2,2-difluorocyclohexyl)-4-(oxan-4-ylmethyl)-1,3-thiazole
PubChem CID166314800
Molecular FormulaC15H21F2NOS
Molecular Weight301.40 g/mol
Exact Mass301.13
IUPAC Name2-(2,2-difluorocyclohexyl)-4-(oxan-4-ylmethyl)-1,3-thiazole
SMILESFC1(F)CCCCC1c1nc(CC2CCOCC2)cs1
InChIInChI=1S/C15H21F2NOS/c16-15(17)6-2-1-3-13(15)14-18-12(10-20-14)9-11-4-7-19-8-5-11/h10-11,13H,1-9H2
InChIKeyHDMALPQHENIJJM-UHFFFAOYSA-N
XLogP4.41
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.40
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2,2-difluorocyclohexyl)-4-(oxan-4-ylmethyl)-1,3-thiazole?
The IUPAC name of 2-(2,2-difluorocyclohexyl)-4-(oxan-4-ylmethyl)-1,3-thiazole (CID 166314800) is 2-(2,2-difluorocyclohexyl)-4-(oxan-4-ylmethyl)-1,3-thiazole.
What is the SMILES notation for 2-(2,2-difluorocyclohexyl)-4-(oxan-4-ylmethyl)-1,3-thiazole?
The canonical SMILES for 2-(2,2-difluorocyclohexyl)-4-(oxan-4-ylmethyl)-1,3-thiazole is FC1(F)CCCCC1c1nc(CC2CCOCC2)cs1.
What is the InChIKey of 2-(2,2-difluorocyclohexyl)-4-(oxan-4-ylmethyl)-1,3-thiazole?
The InChIKey is HDMALPQHENIJJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F2NOS/c16-15(17)6-2-1-3-13(15)14-18-12(10-20-14)9-11-4-7-19-8-5-11/h10-11,13H,1-9H2.
What are the key properties of 2-(2,2-difluorocyclohexyl)-4-(oxan-4-ylmethyl)-1,3-thiazole?
2-(2,2-difluorocyclohexyl)-4-(oxan-4-ylmethyl)-1,3-thiazole has a molecular weight of 301.40 g/mol, XLogP of 4.41, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-difluorocyclohexyl)-4-(oxan-4-ylmethyl)-1,3-thiazole is sourced from PubChem (CID 166314800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).