(3-chloro-4-fluorophenyl)-(5-piperidin-1-yl-1,3,4-thiadiazol-2-yl)methanol

C14H15ClFN3OS — CID 71447382

IUPAC(3-chloro-4-fluorophenyl)-(5-piperidin-1-yl-1,3,4-thiadiazol-2-yl)methanol
SMILESOC(c1ccc(F)c(Cl)c1)c1nnc(N2CCCCC2)s1
InChIInChI=1S/C14H15ClFN3OS/c15-10-8-9(4-5-11(10)16)12(20)13-17-18-14(21-13)19-6-2-1-3-7-19/h4-5,8,12,20H,1-3,6-7H2
InChIKeyXGJNJLJTTZBGFM-UHFFFAOYSA-N
MW327.81 g/mol
LogP3.40
Rot. Bonds3

About (3-chloro-4-fluorophenyl)-(5-piperidin-1-yl-1,3,4-thiadiazol-2-yl)methanol

(3-chloro-4-fluorophenyl)-(5-piperidin-1-yl-1,3,4-thiadiazol-2-yl)methanol (PubChem CID 71447382) has the molecular formula C14H15ClFN3OS and a molecular weight of 327.81 g/mol. Its IUPAC name is (3-chloro-4-fluorophenyl)-(5-piperidin-1-yl-1,3,4-thiadiazol-2-yl)methanol.

Molecular Properties

Compound Name(3-chloro-4-fluorophenyl)-(5-piperidin-1-yl-1,3,4-thiadiazol-2-yl)methanol
PubChem CID71447382
Molecular FormulaC14H15ClFN3OS
Molecular Weight327.81 g/mol
Exact Mass327.06
IUPAC Name(3-chloro-4-fluorophenyl)-(5-piperidin-1-yl-1,3,4-thiadiazol-2-yl)methanol
SMILESOC(c1ccc(F)c(Cl)c1)c1nnc(N2CCCCC2)s1
InChIInChI=1S/C14H15ClFN3OS/c15-10-8-9(4-5-11(10)16)12(20)13-17-18-14(21-13)19-6-2-1-3-7-19/h4-5,8,12,20H,1-3,6-7H2
InChIKeyXGJNJLJTTZBGFM-UHFFFAOYSA-N
XLogP3.40
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.81
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3-chloro-4-fluorophenyl)-(5-piperidin-1-yl-1,3,4-thiadiazol-2-yl)methanol?
The IUPAC name of (3-chloro-4-fluorophenyl)-(5-piperidin-1-yl-1,3,4-thiadiazol-2-yl)methanol (CID 71447382) is (3-chloro-4-fluorophenyl)-(5-piperidin-1-yl-1,3,4-thiadiazol-2-yl)methanol.
What is the SMILES notation for (3-chloro-4-fluorophenyl)-(5-piperidin-1-yl-1,3,4-thiadiazol-2-yl)methanol?
The canonical SMILES for (3-chloro-4-fluorophenyl)-(5-piperidin-1-yl-1,3,4-thiadiazol-2-yl)methanol is OC(c1ccc(F)c(Cl)c1)c1nnc(N2CCCCC2)s1.
What is the InChIKey of (3-chloro-4-fluorophenyl)-(5-piperidin-1-yl-1,3,4-thiadiazol-2-yl)methanol?
The InChIKey is XGJNJLJTTZBGFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClFN3OS/c15-10-8-9(4-5-11(10)16)12(20)13-17-18-14(21-13)19-6-2-1-3-7-19/h4-5,8,12,20H,1-3,6-7H2.
What are the key properties of (3-chloro-4-fluorophenyl)-(5-piperidin-1-yl-1,3,4-thiadiazol-2-yl)methanol?
(3-chloro-4-fluorophenyl)-(5-piperidin-1-yl-1,3,4-thiadiazol-2-yl)methanol has a molecular weight of 327.81 g/mol, XLogP of 3.40, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chloro-4-fluorophenyl)-(5-piperidin-1-yl-1,3,4-thiadiazol-2-yl)methanol is sourced from PubChem (CID 71447382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).