N-(5-chloro-1,3,4-thiadiazol-2-yl)-2,2,2-trideuterioacetamide

C4H4ClN3OS — CID 131708993

IUPACN-(5-chloro-1,3,4-thiadiazol-2-yl)-2,2,2-trideuterioacetamide
SMILES[2H]C([2H])([2H])C(=O)Nc1nnc(Cl)s1
InChIInChI=1S/C4H4ClN3OS/c1-2(9)6-4-8-7-3(5)10-4/h1H3,(H,6,8,9)/i1D3
InChIKeyCKUUONNLVFAZNC-FIBGUPNXSA-N
MW180.63 g/mol
LogP1.15
Rot. Bonds2

About N-(5-chloro-1,3,4-thiadiazol-2-yl)-2,2,2-trideuterioacetamide

N-(5-chloro-1,3,4-thiadiazol-2-yl)-2,2,2-trideuterioacetamide (PubChem CID 131708993) has the molecular formula C4H4ClN3OS and a molecular weight of 180.63 g/mol. Its IUPAC name is N-(5-chloro-1,3,4-thiadiazol-2-yl)-2,2,2-trideuterioacetamide.

Molecular Properties

Compound NameN-(5-chloro-1,3,4-thiadiazol-2-yl)-2,2,2-trideuterioacetamide
PubChem CID131708993
Molecular FormulaC4H4ClN3OS
Molecular Weight180.63 g/mol
Exact Mass180.00
IUPAC NameN-(5-chloro-1,3,4-thiadiazol-2-yl)-2,2,2-trideuterioacetamide
SMILES[2H]C([2H])([2H])C(=O)Nc1nnc(Cl)s1
InChIInChI=1S/C4H4ClN3OS/c1-2(9)6-4-8-7-3(5)10-4/h1H3,(H,6,8,9)/i1D3
InChIKeyCKUUONNLVFAZNC-FIBGUPNXSA-N
XLogP1.15
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.63
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 3-[(5-chloro-1,3,4-thiadiazol-2-yl)amino]-3-oxopropanoate
CID 156888790
fluoro 3-[(5-chloro-1,3,4-thiadiazol-2-yl)amino]-3-oxopropanoate
CID 156888714
N-[5-[2-(5-acetamido-1,3,4-thiadiazol-2-yl)ethyl]-1,3,4-thiadiazol-2-yl]acetamide
CID 2008219
2,2,2-trideuterio-N-(2-sulfanylidene-3H-1,3,4-thiadiazol-5-yl)acetamide
CID 71312787
N-[2-(5-chloro-1,3,4-thiadiazol-2-yl)ethyl]acetamide
CID 83882625
1-(5-chloro-1,3,4-thiadiazol-2-yl)-3-(2,5-dimethylphenyl)sulfonylurea
CID 24834715
N-[5-[(2,4-dichlorophenyl)methyl]-1,3,4-thiadiazol-2-yl]acetamide
CID 711646
N-(5-but-3-ynyl-1,3,4-thiadiazol-2-yl)acetamide
CID 174996359
(5-acetamido-1,3,4-thiadiazol-2-yl)sulfonylazanide
CID 24906315
2-(5-acetamido-1,3,4-thiadiazol-2-yl)acetamide
CID 175551949
N-(5-pentadecyl-1,3,4-thiadiazol-2-yl)acetamide
CID 5080643
N-[5-(propanoylamino)-1,3,4-thiadiazol-2-yl]propanamide
CID 71392216

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-1,3,4-thiadiazol-2-yl)-2,2,2-trideuterioacetamide?
The IUPAC name of N-(5-chloro-1,3,4-thiadiazol-2-yl)-2,2,2-trideuterioacetamide (CID 131708993) is N-(5-chloro-1,3,4-thiadiazol-2-yl)-2,2,2-trideuterioacetamide.
What is the SMILES notation for N-(5-chloro-1,3,4-thiadiazol-2-yl)-2,2,2-trideuterioacetamide?
The canonical SMILES for N-(5-chloro-1,3,4-thiadiazol-2-yl)-2,2,2-trideuterioacetamide is [2H]C([2H])([2H])C(=O)Nc1nnc(Cl)s1.
What is the InChIKey of N-(5-chloro-1,3,4-thiadiazol-2-yl)-2,2,2-trideuterioacetamide?
The InChIKey is CKUUONNLVFAZNC-FIBGUPNXSA-N. The full InChI is InChI=1S/C4H4ClN3OS/c1-2(9)6-4-8-7-3(5)10-4/h1H3,(H,6,8,9)/i1D3.
What are the key properties of N-(5-chloro-1,3,4-thiadiazol-2-yl)-2,2,2-trideuterioacetamide?
N-(5-chloro-1,3,4-thiadiazol-2-yl)-2,2,2-trideuterioacetamide has a molecular weight of 180.63 g/mol, XLogP of 1.15, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-1,3,4-thiadiazol-2-yl)-2,2,2-trideuterioacetamide is sourced from PubChem (CID 131708993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).