N-[5-[(2-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]-2-[2-(2-oxo-1,3-diazinan-1-yl)-1,3-thiazol-4-yl]acetamide

C18H17FN6O2S2 — CID 86900004

IUPACN-[5-[(2-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]-2-[2-(2-oxo-1,3-diazinan-1-yl)-1,3-thiazol-4-yl]acetamide
SMILESO=C(Cc1csc(N2CCCNC2=O)n1)Nc1nnc(Cc2ccccc2F)s1
InChIInChI=1S/C18H17FN6O2S2/c19-13-5-2-1-4-11(13)8-15-23-24-16(29-15)22-14(26)9-12-10-28-18(21-12)25-7-3-6-20-17(25)27/h1-2,4-5,10H,3,6-9H2,(H,20,27)(H,22,24,26)
InChIKeyNIDIAGPMTGOHIZ-UHFFFAOYSA-N
MW432.51 g/mol
LogP2.83
Rot. Bonds6

About N-[5-[(2-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]-2-[2-(2-oxo-1,3-diazinan-1-yl)-1,3-thiazol-4-yl]acetamide

N-[5-[(2-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]-2-[2-(2-oxo-1,3-diazinan-1-yl)-1,3-thiazol-4-yl]acetamide (PubChem CID 86900004) has the molecular formula C18H17FN6O2S2 and a molecular weight of 432.51 g/mol. Its IUPAC name is N-[5-[(2-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]-2-[2-(2-oxo-1,3-diazinan-1-yl)-1,3-thiazol-4-yl]acetamide.

Molecular Properties

Compound NameN-[5-[(2-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]-2-[2-(2-oxo-1,3-diazinan-1-yl)-1,3-thiazol-4-yl]acetamide
PubChem CID86900004
Molecular FormulaC18H17FN6O2S2
Molecular Weight432.51 g/mol
Exact Mass432.08
IUPAC NameN-[5-[(2-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]-2-[2-(2-oxo-1,3-diazinan-1-yl)-1,3-thiazol-4-yl]acetamide
SMILESO=C(Cc1csc(N2CCCNC2=O)n1)Nc1nnc(Cc2ccccc2F)s1
InChIInChI=1S/C18H17FN6O2S2/c19-13-5-2-1-4-11(13)8-15-23-24-16(29-15)22-14(26)9-12-10-28-18(21-12)25-7-3-6-20-17(25)27/h1-2,4-5,10H,3,6-9H2,(H,20,27)(H,22,24,26)
InChIKeyNIDIAGPMTGOHIZ-UHFFFAOYSA-N
XLogP2.83
TPSA100.11 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.51
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[5-[(2-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]-2-[2-(2-oxo-1,3-diazinan-1-yl)-1,3-thiazol-4-yl]acetamide?
The IUPAC name of N-[5-[(2-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]-2-[2-(2-oxo-1,3-diazinan-1-yl)-1,3-thiazol-4-yl]acetamide (CID 86900004) is N-[5-[(2-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]-2-[2-(2-oxo-1,3-diazinan-1-yl)-1,3-thiazol-4-yl]acetamide.
What is the SMILES notation for N-[5-[(2-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]-2-[2-(2-oxo-1,3-diazinan-1-yl)-1,3-thiazol-4-yl]acetamide?
The canonical SMILES for N-[5-[(2-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]-2-[2-(2-oxo-1,3-diazinan-1-yl)-1,3-thiazol-4-yl]acetamide is O=C(Cc1csc(N2CCCNC2=O)n1)Nc1nnc(Cc2ccccc2F)s1.
What is the InChIKey of N-[5-[(2-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]-2-[2-(2-oxo-1,3-diazinan-1-yl)-1,3-thiazol-4-yl]acetamide?
The InChIKey is NIDIAGPMTGOHIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN6O2S2/c19-13-5-2-1-4-11(13)8-15-23-24-16(29-15)22-14(26)9-12-10-28-18(21-12)25-7-3-6-20-17(25)27/h1-2,4-5,10H,3,6-9H2,(H,20,27)(H,22,24,26).
What are the key properties of N-[5-[(2-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]-2-[2-(2-oxo-1,3-diazinan-1-yl)-1,3-thiazol-4-yl]acetamide?
N-[5-[(2-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]-2-[2-(2-oxo-1,3-diazinan-1-yl)-1,3-thiazol-4-yl]acetamide has a molecular weight of 432.51 g/mol, XLogP of 2.83, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(2-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]-2-[2-(2-oxo-1,3-diazinan-1-yl)-1,3-thiazol-4-yl]acetamide is sourced from PubChem (CID 86900004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).