2-[(5-chloro-1,3,4-thiadiazol-2-yl)methyl-methylamino]-N,N-diethylacetamide

C10H17ClN4OS — CID 80611853

IUPAC2-[(5-chloro-1,3,4-thiadiazol-2-yl)methyl-methylamino]-N,N-diethylacetamide
SMILESCCN(CC)C(=O)CN(C)Cc1nnc(Cl)s1
InChIInChI=1S/C10H17ClN4OS/c1-4-15(5-2)9(16)7-14(3)6-8-12-13-10(11)17-8/h4-7H2,1-3H3
InChIKeyDJRHPPHEAJDSJJ-UHFFFAOYSA-N
MW276.79 g/mol
LogP1.49
Rot. Bonds6

About 2-[(5-chloro-1,3,4-thiadiazol-2-yl)methyl-methylamino]-N,N-diethylacetamide

2-[(5-chloro-1,3,4-thiadiazol-2-yl)methyl-methylamino]-N,N-diethylacetamide (PubChem CID 80611853) has the molecular formula C10H17ClN4OS and a molecular weight of 276.79 g/mol. Its IUPAC name is 2-[(5-chloro-1,3,4-thiadiazol-2-yl)methyl-methylamino]-N,N-diethylacetamide.

Molecular Properties

Compound Name2-[(5-chloro-1,3,4-thiadiazol-2-yl)methyl-methylamino]-N,N-diethylacetamide
PubChem CID80611853
Molecular FormulaC10H17ClN4OS
Molecular Weight276.79 g/mol
Exact Mass276.08
IUPAC Name2-[(5-chloro-1,3,4-thiadiazol-2-yl)methyl-methylamino]-N,N-diethylacetamide
SMILESCCN(CC)C(=O)CN(C)Cc1nnc(Cl)s1
InChIInChI=1S/C10H17ClN4OS/c1-4-15(5-2)9(16)7-14(3)6-8-12-13-10(11)17-8/h4-7H2,1-3H3
InChIKeyDJRHPPHEAJDSJJ-UHFFFAOYSA-N
XLogP1.49
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.79
LogP ≤ 51.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-chloro-1,3,4-thiadiazol-2-yl)methyl-methylamino]-N,N-diethylacetamide?
The IUPAC name of 2-[(5-chloro-1,3,4-thiadiazol-2-yl)methyl-methylamino]-N,N-diethylacetamide (CID 80611853) is 2-[(5-chloro-1,3,4-thiadiazol-2-yl)methyl-methylamino]-N,N-diethylacetamide.
What is the SMILES notation for 2-[(5-chloro-1,3,4-thiadiazol-2-yl)methyl-methylamino]-N,N-diethylacetamide?
The canonical SMILES for 2-[(5-chloro-1,3,4-thiadiazol-2-yl)methyl-methylamino]-N,N-diethylacetamide is CCN(CC)C(=O)CN(C)Cc1nnc(Cl)s1.
What is the InChIKey of 2-[(5-chloro-1,3,4-thiadiazol-2-yl)methyl-methylamino]-N,N-diethylacetamide?
The InChIKey is DJRHPPHEAJDSJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17ClN4OS/c1-4-15(5-2)9(16)7-14(3)6-8-12-13-10(11)17-8/h4-7H2,1-3H3.
What are the key properties of 2-[(5-chloro-1,3,4-thiadiazol-2-yl)methyl-methylamino]-N,N-diethylacetamide?
2-[(5-chloro-1,3,4-thiadiazol-2-yl)methyl-methylamino]-N,N-diethylacetamide has a molecular weight of 276.79 g/mol, XLogP of 1.49, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-chloro-1,3,4-thiadiazol-2-yl)methyl-methylamino]-N,N-diethylacetamide is sourced from PubChem (CID 80611853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).