N-[(1R)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide

C16H19N3OS2 — CID 8953766

IUPACN-[(1R)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide
SMILESC[C@@H](NC(=O)CSc1nncs1)c1ccc2c(c1)CCCC2
InChIInChI=1S/C16H19N3OS2/c1-11(18-15(20)9-21-16-19-17-10-22-16)13-7-6-12-4-2-3-5-14(12)8-13/h6-8,10-11H,2-5,9H2,1H3,(H,18,20)/t11-/m1/s1
InChIKeyULJWTDBMKYWYMN-LLVKDONJSA-N
MW333.48 g/mol
LogP3.39
Rot. Bonds5

About N-[(1R)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide

N-[(1R)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide (PubChem CID 8953766) has the molecular formula C16H19N3OS2 and a molecular weight of 333.48 g/mol. Its IUPAC name is N-[(1R)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide.

Molecular Properties

Compound NameN-[(1R)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide
PubChem CID8953766
Molecular FormulaC16H19N3OS2
Molecular Weight333.48 g/mol
Exact Mass333.10
IUPAC NameN-[(1R)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide
SMILESC[C@@H](NC(=O)CSc1nncs1)c1ccc2c(c1)CCCC2
InChIInChI=1S/C16H19N3OS2/c1-11(18-15(20)9-21-16-19-17-10-22-16)13-7-6-12-4-2-3-5-14(12)8-13/h6-8,10-11H,2-5,9H2,1H3,(H,18,20)/t11-/m1/s1
InChIKeyULJWTDBMKYWYMN-LLVKDONJSA-N
XLogP3.39
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.48
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(4-amino-1,2,4-triazol-3-yl)sulfanyl]-N-[(1S)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]acetamide
CID 9060526
2-pyrimidin-2-ylsulfanyl-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]acetamide
CID 51110143
2-(1-methyltetrazol-5-yl)sulfanyl-N-[(1R)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]acetamide
CID 8873161
2-[(4-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]acetamide
CID 16619960
N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]-2-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-ylsulfanyl)acetamide
CID 17463707
2-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-[(1R)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]acetamide
CID 8945628
N-[(1S)-1-(2-methylphenyl)ethyl]-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide
CID 41312659
2-[[5-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]acetamide
CID 42892784
2-(3-methyl-4-oxothieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]acetamide
CID 46821558
2-[[4-methyl-5-(2-methylfuran-3-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-[(1S)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]acetamide
CID 8951616
[2-oxo-2-[[(1S)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]amino]ethyl] N,N-diethylcarbamodithioate
CID 8938468
[2-oxo-2-[[(1S)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]amino]ethyl] pyrrolidine-1-carbodithioate
CID 8950878

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide?
The IUPAC name of N-[(1R)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide (CID 8953766) is N-[(1R)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide.
What is the SMILES notation for N-[(1R)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide?
The canonical SMILES for N-[(1R)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide is C[C@@H](NC(=O)CSc1nncs1)c1ccc2c(c1)CCCC2.
What is the InChIKey of N-[(1R)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide?
The InChIKey is ULJWTDBMKYWYMN-LLVKDONJSA-N. The full InChI is InChI=1S/C16H19N3OS2/c1-11(18-15(20)9-21-16-19-17-10-22-16)13-7-6-12-4-2-3-5-14(12)8-13/h6-8,10-11H,2-5,9H2,1H3,(H,18,20)/t11-/m1/s1.
What are the key properties of N-[(1R)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide?
N-[(1R)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide has a molecular weight of 333.48 g/mol, XLogP of 3.39, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide is sourced from PubChem (CID 8953766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).