3-fluoro-2-(propylamino)-N-(thiadiazol-5-yl)benzamide

C12H13FN4OS — CID 114914162

IUPAC3-fluoro-2-(propylamino)-N-(thiadiazol-5-yl)benzamide
SMILESCCCNc1c(F)cccc1C(=O)Nc1cnns1
InChIInChI=1S/C12H13FN4OS/c1-2-6-14-11-8(4-3-5-9(11)13)12(18)16-10-7-15-17-19-10/h3-5,7,14H,2,6H2,1H3,(H,16,18)
InChIKeyYXAHIZSZXTUUQT-UHFFFAOYSA-N
MW280.33 g/mol
LogP2.75
Rot. Bonds5

About 3-fluoro-2-(propylamino)-N-(thiadiazol-5-yl)benzamide

3-fluoro-2-(propylamino)-N-(thiadiazol-5-yl)benzamide (PubChem CID 114914162) has the molecular formula C12H13FN4OS and a molecular weight of 280.33 g/mol. Its IUPAC name is 3-fluoro-2-(propylamino)-N-(thiadiazol-5-yl)benzamide.

Molecular Properties

Compound Name3-fluoro-2-(propylamino)-N-(thiadiazol-5-yl)benzamide
PubChem CID114914162
Molecular FormulaC12H13FN4OS
Molecular Weight280.33 g/mol
Exact Mass280.08
IUPAC Name3-fluoro-2-(propylamino)-N-(thiadiazol-5-yl)benzamide
SMILESCCCNc1c(F)cccc1C(=O)Nc1cnns1
InChIInChI=1S/C12H13FN4OS/c1-2-6-14-11-8(4-3-5-9(11)13)12(18)16-10-7-15-17-19-10/h3-5,7,14H,2,6H2,1H3,(H,16,18)
InChIKeyYXAHIZSZXTUUQT-UHFFFAOYSA-N
XLogP2.75
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-fluoro-2-hydrazinyl-N-(thiadiazol-5-yl)benzamide
CID 114914426
3-fluoro-2-(propylamino)-N-pyridin-4-ylbenzamide
CID 62650270
3-fluoro-N-(3-fluoro-4-pyridinyl)-2-(propylamino)benzamide
CID 107595462
N-(4-chlorophenyl)-3-fluoro-2-(propylamino)benzamide
CID 63501108
2-hydroxy-3-methyl-N-(thiadiazol-5-yl)benzamide
CID 114912821
3-hydroxy-2-methyl-N-(thiadiazol-5-yl)benzamide
CID 114912815
3-fluoro-N-(4-methyl-2-pyridinyl)-2-(propylamino)benzamide
CID 62650730
N-[2-(carbamoylamino)ethyl]-3-fluoro-2-(propylamino)benzamide
CID 83115693
2-hydroxy-3-methoxy-N-(thiadiazol-5-yl)benzamide
CID 114912813
N-[2-(dimethylamino)propyl]-3-fluoro-2-(propylamino)benzamide
CID 62660881
N-cyclobutyl-3-fluoro-2-(propylamino)benzamide
CID 62662485
N-(2,2-dimethylbutyl)-3-fluoro-2-(propylamino)benzamide
CID 103464511

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-2-(propylamino)-N-(thiadiazol-5-yl)benzamide?
The IUPAC name of 3-fluoro-2-(propylamino)-N-(thiadiazol-5-yl)benzamide (CID 114914162) is 3-fluoro-2-(propylamino)-N-(thiadiazol-5-yl)benzamide.
What is the SMILES notation for 3-fluoro-2-(propylamino)-N-(thiadiazol-5-yl)benzamide?
The canonical SMILES for 3-fluoro-2-(propylamino)-N-(thiadiazol-5-yl)benzamide is CCCNc1c(F)cccc1C(=O)Nc1cnns1.
What is the InChIKey of 3-fluoro-2-(propylamino)-N-(thiadiazol-5-yl)benzamide?
The InChIKey is YXAHIZSZXTUUQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13FN4OS/c1-2-6-14-11-8(4-3-5-9(11)13)12(18)16-10-7-15-17-19-10/h3-5,7,14H,2,6H2,1H3,(H,16,18).
What are the key properties of 3-fluoro-2-(propylamino)-N-(thiadiazol-5-yl)benzamide?
3-fluoro-2-(propylamino)-N-(thiadiazol-5-yl)benzamide has a molecular weight of 280.33 g/mol, XLogP of 2.75, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-2-(propylamino)-N-(thiadiazol-5-yl)benzamide is sourced from PubChem (CID 114914162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).