2-fluoro-N,N-dimethyl-4-[5-(2-methylpiperazin-1-yl)-1,3,4-thiadiazol-2-yl]benzamide

C16H20FN5OS — CID 166030930

IUPAC2-fluoro-N,N-dimethyl-4-[5-(2-methylpiperazin-1-yl)-1,3,4-thiadiazol-2-yl]benzamide
SMILESCC1CNCCN1c1nnc(-c2ccc(C(=O)N(C)C)c(F)c2)s1
InChIInChI=1S/C16H20FN5OS/c1-10-9-18-6-7-22(10)16-20-19-14(24-16)11-4-5-12(13(17)8-11)15(23)21(2)3/h4-5,8,10,18H,6-7,9H2,1-3H3
InChIKeyFWVIUSGXXPATGW-UHFFFAOYSA-N
MW349.44 g/mol
LogP1.84
Rot. Bonds3

About 2-fluoro-N,N-dimethyl-4-[5-(2-methylpiperazin-1-yl)-1,3,4-thiadiazol-2-yl]benzamide

2-fluoro-N,N-dimethyl-4-[5-(2-methylpiperazin-1-yl)-1,3,4-thiadiazol-2-yl]benzamide (PubChem CID 166030930) has the molecular formula C16H20FN5OS and a molecular weight of 349.44 g/mol. Its IUPAC name is 2-fluoro-N,N-dimethyl-4-[5-(2-methylpiperazin-1-yl)-1,3,4-thiadiazol-2-yl]benzamide.

Molecular Properties

Compound Name2-fluoro-N,N-dimethyl-4-[5-(2-methylpiperazin-1-yl)-1,3,4-thiadiazol-2-yl]benzamide
PubChem CID166030930
Molecular FormulaC16H20FN5OS
Molecular Weight349.44 g/mol
Exact Mass349.14
IUPAC Name2-fluoro-N,N-dimethyl-4-[5-(2-methylpiperazin-1-yl)-1,3,4-thiadiazol-2-yl]benzamide
SMILESCC1CNCCN1c1nnc(-c2ccc(C(=O)N(C)C)c(F)c2)s1
InChIInChI=1S/C16H20FN5OS/c1-10-9-18-6-7-22(10)16-20-19-14(24-16)11-4-5-12(13(17)8-11)15(23)21(2)3/h4-5,8,10,18H,6-7,9H2,1-3H3
InChIKeyFWVIUSGXXPATGW-UHFFFAOYSA-N
XLogP1.84
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.44
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N,N-dimethyl-4-[5-(2-methylpiperazin-1-yl)-1,3,4-thiadiazol-2-yl]benzamide?
The IUPAC name of 2-fluoro-N,N-dimethyl-4-[5-(2-methylpiperazin-1-yl)-1,3,4-thiadiazol-2-yl]benzamide (CID 166030930) is 2-fluoro-N,N-dimethyl-4-[5-(2-methylpiperazin-1-yl)-1,3,4-thiadiazol-2-yl]benzamide.
What is the SMILES notation for 2-fluoro-N,N-dimethyl-4-[5-(2-methylpiperazin-1-yl)-1,3,4-thiadiazol-2-yl]benzamide?
The canonical SMILES for 2-fluoro-N,N-dimethyl-4-[5-(2-methylpiperazin-1-yl)-1,3,4-thiadiazol-2-yl]benzamide is CC1CNCCN1c1nnc(-c2ccc(C(=O)N(C)C)c(F)c2)s1.
What is the InChIKey of 2-fluoro-N,N-dimethyl-4-[5-(2-methylpiperazin-1-yl)-1,3,4-thiadiazol-2-yl]benzamide?
The InChIKey is FWVIUSGXXPATGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20FN5OS/c1-10-9-18-6-7-22(10)16-20-19-14(24-16)11-4-5-12(13(17)8-11)15(23)21(2)3/h4-5,8,10,18H,6-7,9H2,1-3H3.
What are the key properties of 2-fluoro-N,N-dimethyl-4-[5-(2-methylpiperazin-1-yl)-1,3,4-thiadiazol-2-yl]benzamide?
2-fluoro-N,N-dimethyl-4-[5-(2-methylpiperazin-1-yl)-1,3,4-thiadiazol-2-yl]benzamide has a molecular weight of 349.44 g/mol, XLogP of 1.84, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N,N-dimethyl-4-[5-(2-methylpiperazin-1-yl)-1,3,4-thiadiazol-2-yl]benzamide is sourced from PubChem (CID 166030930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).