2-[9H-fluoren-9-yl(methyl)amino]-N-(1,3,4-thiadiazol-2-yl)acetamide

C18H16N4OS — CID 71980721

IUPAC2-[9H-fluoren-9-yl(methyl)amino]-N-(1,3,4-thiadiazol-2-yl)acetamide
SMILESCN(CC(=O)Nc1nncs1)C1c2ccccc2-c2ccccc21
InChIInChI=1S/C18H16N4OS/c1-22(10-16(23)20-18-21-19-11-24-18)17-14-8-4-2-6-12(14)13-7-3-5-9-15(13)17/h2-9,11,17H,10H2,1H3,(H,20,21,23)
InChIKeyPHUHQUMDEKRTTC-UHFFFAOYSA-N
MW336.42 g/mol
LogP3.18
Rot. Bonds4

About 2-[9H-fluoren-9-yl(methyl)amino]-N-(1,3,4-thiadiazol-2-yl)acetamide

2-[9H-fluoren-9-yl(methyl)amino]-N-(1,3,4-thiadiazol-2-yl)acetamide (PubChem CID 71980721) has the molecular formula C18H16N4OS and a molecular weight of 336.42 g/mol. Its IUPAC name is 2-[9H-fluoren-9-yl(methyl)amino]-N-(1,3,4-thiadiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-[9H-fluoren-9-yl(methyl)amino]-N-(1,3,4-thiadiazol-2-yl)acetamide
PubChem CID71980721
Molecular FormulaC18H16N4OS
Molecular Weight336.42 g/mol
Exact Mass336.10
IUPAC Name2-[9H-fluoren-9-yl(methyl)amino]-N-(1,3,4-thiadiazol-2-yl)acetamide
SMILESCN(CC(=O)Nc1nncs1)C1c2ccccc2-c2ccccc21
InChIInChI=1S/C18H16N4OS/c1-22(10-16(23)20-18-21-19-11-24-18)17-14-8-4-2-6-12(14)13-7-3-5-9-15(13)17/h2-9,11,17H,10H2,1H3,(H,20,21,23)
InChIKeyPHUHQUMDEKRTTC-UHFFFAOYSA-N
XLogP3.18
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.42
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[cyclohexyl(methyl)amino]-N-(1,3,4-thiadiazol-2-yl)acetamide
CID 22200514
2-[9H-fluoren-9-yl(methyl)amino]acetamide
CID 166193122
2-(diethylamino)-N-(1,3,4-thiadiazol-2-yl)acetamide
CID 47123067
N-(3-chlorophenyl)-2-[methyl-[2-oxo-2-(1,3,4-thiadiazol-2-ylamino)ethyl]amino]acetamide
CID 51087022
2-[[(3S)-1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]-methylamino]-N-(1,3,4-thiadiazol-2-yl)acetamide
CID 95623626
2-[ethyl(furan-2-ylmethyl)amino]-N-(1,3,4-thiadiazol-2-yl)acetamide
CID 47284425
5-bromo-N-methyl-N-[2-oxo-2-(1,3,4-thiadiazol-2-ylamino)ethyl]thiophene-2-carboxamide
CID 47278626
2-[(4-acetylphenyl)sulfonyl-methylamino]-N-(1,3,4-thiadiazol-2-yl)acetamide
CID 43052185
2-phenylsulfanyl-N-(1,3,4-thiadiazol-2-yl)acetamide
CID 35523950
2-(2-fluorophenyl)-N-(1,3,4-thiadiazol-2-yl)acetamide
CID 29369711
2-methoxy-N-(1,3,4-thiadiazol-2-yl)acetamide
CID 19183970
2-[(1R)-2-acetyl-1H-isoquinolin-1-yl]-N-(1,3,4-thiadiazol-2-yl)acetamide
CID 29370303

Frequently Asked Questions

What is the IUPAC name of 2-[9H-fluoren-9-yl(methyl)amino]-N-(1,3,4-thiadiazol-2-yl)acetamide?
The IUPAC name of 2-[9H-fluoren-9-yl(methyl)amino]-N-(1,3,4-thiadiazol-2-yl)acetamide (CID 71980721) is 2-[9H-fluoren-9-yl(methyl)amino]-N-(1,3,4-thiadiazol-2-yl)acetamide.
What is the SMILES notation for 2-[9H-fluoren-9-yl(methyl)amino]-N-(1,3,4-thiadiazol-2-yl)acetamide?
The canonical SMILES for 2-[9H-fluoren-9-yl(methyl)amino]-N-(1,3,4-thiadiazol-2-yl)acetamide is CN(CC(=O)Nc1nncs1)C1c2ccccc2-c2ccccc21.
What is the InChIKey of 2-[9H-fluoren-9-yl(methyl)amino]-N-(1,3,4-thiadiazol-2-yl)acetamide?
The InChIKey is PHUHQUMDEKRTTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N4OS/c1-22(10-16(23)20-18-21-19-11-24-18)17-14-8-4-2-6-12(14)13-7-3-5-9-15(13)17/h2-9,11,17H,10H2,1H3,(H,20,21,23).
What are the key properties of 2-[9H-fluoren-9-yl(methyl)amino]-N-(1,3,4-thiadiazol-2-yl)acetamide?
2-[9H-fluoren-9-yl(methyl)amino]-N-(1,3,4-thiadiazol-2-yl)acetamide has a molecular weight of 336.42 g/mol, XLogP of 3.18, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[9H-fluoren-9-yl(methyl)amino]-N-(1,3,4-thiadiazol-2-yl)acetamide is sourced from PubChem (CID 71980721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).