1-[3-(fluoromethyl)-1,2-thiazol-5-yl]-4-pyrrolidin-1-ylcyclohexan-1-ol

C14H21FN2OS — CID 141093201

IUPAC1-[3-(fluoromethyl)-1,2-thiazol-5-yl]-4-pyrrolidin-1-ylcyclohexan-1-ol
SMILESOC1(c2cc(CF)ns2)CCC(N2CCCC2)CC1
InChIInChI=1S/C14H21FN2OS/c15-10-11-9-13(19-16-11)14(18)5-3-12(4-6-14)17-7-1-2-8-17/h9,12,18H,1-8,10H2
InChIKeyPEOVFLYREKNGKZ-UHFFFAOYSA-N
MW284.40 g/mol
LogP2.84
Rot. Bonds3

About 1-[3-(fluoromethyl)-1,2-thiazol-5-yl]-4-pyrrolidin-1-ylcyclohexan-1-ol

1-[3-(fluoromethyl)-1,2-thiazol-5-yl]-4-pyrrolidin-1-ylcyclohexan-1-ol (PubChem CID 141093201) has the molecular formula C14H21FN2OS and a molecular weight of 284.40 g/mol. Its IUPAC name is 1-[3-(fluoromethyl)-1,2-thiazol-5-yl]-4-pyrrolidin-1-ylcyclohexan-1-ol.

Molecular Properties

Compound Name1-[3-(fluoromethyl)-1,2-thiazol-5-yl]-4-pyrrolidin-1-ylcyclohexan-1-ol
PubChem CID141093201
Molecular FormulaC14H21FN2OS
Molecular Weight284.40 g/mol
Exact Mass284.14
IUPAC Name1-[3-(fluoromethyl)-1,2-thiazol-5-yl]-4-pyrrolidin-1-ylcyclohexan-1-ol
SMILESOC1(c2cc(CF)ns2)CCC(N2CCCC2)CC1
InChIInChI=1S/C14H21FN2OS/c15-10-11-9-13(19-16-11)14(18)5-3-12(4-6-14)17-7-1-2-8-17/h9,12,18H,1-8,10H2
InChIKeyPEOVFLYREKNGKZ-UHFFFAOYSA-N
XLogP2.84
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-Ethyl-4-(3-methyl-1,2-thiazol-5-yl)piperidin-4-ol
CID 69534542
1-Methyl-4-(3-methyl-1,2-thiazol-5-yl)piperidin-4-ol
CID 130646260
1-(3-Methyl-1,2-thiazol-5-yl)cyclohexan-1-ol
CID 127002581
4-Amino-1-(3-methyl-1,2-thiazol-5-yl)cyclohexan-1-ol
CID 130730151
1-(3-Methyl-1,2-thiazol-5-yl)-1-pyrrolidin-3-ylethanol
CID 130857619
1-Methyl-3-(3-methyl-1,2-thiazol-5-yl)pyrrolidin-3-ol
CID 130874616

Frequently Asked Questions

What is the IUPAC name of 1-[3-(fluoromethyl)-1,2-thiazol-5-yl]-4-pyrrolidin-1-ylcyclohexan-1-ol?
The IUPAC name of 1-[3-(fluoromethyl)-1,2-thiazol-5-yl]-4-pyrrolidin-1-ylcyclohexan-1-ol (CID 141093201) is 1-[3-(fluoromethyl)-1,2-thiazol-5-yl]-4-pyrrolidin-1-ylcyclohexan-1-ol.
What is the SMILES notation for 1-[3-(fluoromethyl)-1,2-thiazol-5-yl]-4-pyrrolidin-1-ylcyclohexan-1-ol?
The canonical SMILES for 1-[3-(fluoromethyl)-1,2-thiazol-5-yl]-4-pyrrolidin-1-ylcyclohexan-1-ol is OC1(c2cc(CF)ns2)CCC(N2CCCC2)CC1.
What is the InChIKey of 1-[3-(fluoromethyl)-1,2-thiazol-5-yl]-4-pyrrolidin-1-ylcyclohexan-1-ol?
The InChIKey is PEOVFLYREKNGKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN2OS/c15-10-11-9-13(19-16-11)14(18)5-3-12(4-6-14)17-7-1-2-8-17/h9,12,18H,1-8,10H2.
What are the key properties of 1-[3-(fluoromethyl)-1,2-thiazol-5-yl]-4-pyrrolidin-1-ylcyclohexan-1-ol?
1-[3-(fluoromethyl)-1,2-thiazol-5-yl]-4-pyrrolidin-1-ylcyclohexan-1-ol has a molecular weight of 284.40 g/mol, XLogP of 2.84, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(fluoromethyl)-1,2-thiazol-5-yl]-4-pyrrolidin-1-ylcyclohexan-1-ol is sourced from PubChem (CID 141093201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).