N-(4-fluorophenyl)-5-pyrimidin-2-ylsulfanyl-1,3,4-thiadiazol-2-amine

C12H8FN5S2 — CID 18156174

IUPACN-(4-fluorophenyl)-5-pyrimidin-2-ylsulfanyl-1,3,4-thiadiazol-2-amine
SMILESFc1ccc(Nc2nnc(Sc3ncccn3)s2)cc1
InChIInChI=1S/C12H8FN5S2/c13-8-2-4-9(5-3-8)16-11-17-18-12(20-11)19-10-14-6-1-7-15-10/h1-7H,(H,16,17)
InChIKeyXAYDICNWGIGLQE-UHFFFAOYSA-N
MW305.36 g/mol
LogP3.36
Rot. Bonds4

About N-(4-fluorophenyl)-5-pyrimidin-2-ylsulfanyl-1,3,4-thiadiazol-2-amine

N-(4-fluorophenyl)-5-pyrimidin-2-ylsulfanyl-1,3,4-thiadiazol-2-amine (PubChem CID 18156174) has the molecular formula C12H8FN5S2 and a molecular weight of 305.36 g/mol. Its IUPAC name is N-(4-fluorophenyl)-5-pyrimidin-2-ylsulfanyl-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound NameN-(4-fluorophenyl)-5-pyrimidin-2-ylsulfanyl-1,3,4-thiadiazol-2-amine
PubChem CID18156174
Molecular FormulaC12H8FN5S2
Molecular Weight305.36 g/mol
Exact Mass305.02
IUPAC NameN-(4-fluorophenyl)-5-pyrimidin-2-ylsulfanyl-1,3,4-thiadiazol-2-amine
SMILESFc1ccc(Nc2nnc(Sc3ncccn3)s2)cc1
InChIInChI=1S/C12H8FN5S2/c13-8-2-4-9(5-3-8)16-11-17-18-12(20-11)19-10-14-6-1-7-15-10/h1-7H,(H,16,17)
InChIKeyXAYDICNWGIGLQE-UHFFFAOYSA-N
XLogP3.36
TPSA63.59 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.36
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-5-pyrimidin-2-ylsulfanyl-1,3,4-thiadiazol-2-amine?
The IUPAC name of N-(4-fluorophenyl)-5-pyrimidin-2-ylsulfanyl-1,3,4-thiadiazol-2-amine (CID 18156174) is N-(4-fluorophenyl)-5-pyrimidin-2-ylsulfanyl-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for N-(4-fluorophenyl)-5-pyrimidin-2-ylsulfanyl-1,3,4-thiadiazol-2-amine?
The canonical SMILES for N-(4-fluorophenyl)-5-pyrimidin-2-ylsulfanyl-1,3,4-thiadiazol-2-amine is Fc1ccc(Nc2nnc(Sc3ncccn3)s2)cc1.
What is the InChIKey of N-(4-fluorophenyl)-5-pyrimidin-2-ylsulfanyl-1,3,4-thiadiazol-2-amine?
The InChIKey is XAYDICNWGIGLQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8FN5S2/c13-8-2-4-9(5-3-8)16-11-17-18-12(20-11)19-10-14-6-1-7-15-10/h1-7H,(H,16,17).
What are the key properties of N-(4-fluorophenyl)-5-pyrimidin-2-ylsulfanyl-1,3,4-thiadiazol-2-amine?
N-(4-fluorophenyl)-5-pyrimidin-2-ylsulfanyl-1,3,4-thiadiazol-2-amine has a molecular weight of 305.36 g/mol, XLogP of 3.36, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-5-pyrimidin-2-ylsulfanyl-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 18156174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).