2-(4,4-difluorocyclohexyl)-4-methoxy-1,3-thiazole

C10H13F2NOS — CID 174748572

IUPAC2-(4,4-difluorocyclohexyl)-4-methoxy-1,3-thiazole
SMILESCOc1csc(C2CCC(F)(F)CC2)n1
InChIInChI=1S/C10H13F2NOS/c1-14-8-6-15-9(13-8)7-2-4-10(11,12)5-3-7/h6-7H,2-5H2,1H3
InChIKeyBBXGZWBILFCHTB-UHFFFAOYSA-N
MW233.28 g/mol
LogP3.44
Rot. Bonds2

About 2-(4,4-difluorocyclohexyl)-4-methoxy-1,3-thiazole

2-(4,4-difluorocyclohexyl)-4-methoxy-1,3-thiazole (PubChem CID 174748572) has the molecular formula C10H13F2NOS and a molecular weight of 233.28 g/mol. Its IUPAC name is 2-(4,4-difluorocyclohexyl)-4-methoxy-1,3-thiazole.

Molecular Properties

Compound Name2-(4,4-difluorocyclohexyl)-4-methoxy-1,3-thiazole
PubChem CID174748572
Molecular FormulaC10H13F2NOS
Molecular Weight233.28 g/mol
Exact Mass233.07
IUPAC Name2-(4,4-difluorocyclohexyl)-4-methoxy-1,3-thiazole
SMILESCOc1csc(C2CCC(F)(F)CC2)n1
InChIInChI=1S/C10H13F2NOS/c1-14-8-6-15-9(13-8)7-2-4-10(11,12)5-3-7/h6-7H,2-5H2,1H3
InChIKeyBBXGZWBILFCHTB-UHFFFAOYSA-N
XLogP3.44
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.28
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4,4-difluorocyclohexyl)-4-methoxy-1,3-thiazole?
The IUPAC name of 2-(4,4-difluorocyclohexyl)-4-methoxy-1,3-thiazole (CID 174748572) is 2-(4,4-difluorocyclohexyl)-4-methoxy-1,3-thiazole.
What is the SMILES notation for 2-(4,4-difluorocyclohexyl)-4-methoxy-1,3-thiazole?
The canonical SMILES for 2-(4,4-difluorocyclohexyl)-4-methoxy-1,3-thiazole is COc1csc(C2CCC(F)(F)CC2)n1.
What is the InChIKey of 2-(4,4-difluorocyclohexyl)-4-methoxy-1,3-thiazole?
The InChIKey is BBXGZWBILFCHTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F2NOS/c1-14-8-6-15-9(13-8)7-2-4-10(11,12)5-3-7/h6-7H,2-5H2,1H3.
What are the key properties of 2-(4,4-difluorocyclohexyl)-4-methoxy-1,3-thiazole?
2-(4,4-difluorocyclohexyl)-4-methoxy-1,3-thiazole has a molecular weight of 233.28 g/mol, XLogP of 3.44, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,4-difluorocyclohexyl)-4-methoxy-1,3-thiazole is sourced from PubChem (CID 174748572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).