2-[(5-chlorothiadiazol-4-yl)methyl-methylamino]acetamide

C6H9ClN4OS — CID 43625562

IUPAC2-[(5-chlorothiadiazol-4-yl)methyl-methylamino]acetamide
SMILESCN(CC(N)=O)Cc1nnsc1Cl
InChIInChI=1S/C6H9ClN4OS/c1-11(3-5(8)12)2-4-6(7)13-10-9-4/h2-3H2,1H3,(H2,8,12)
InChIKeyFPBCHAYLBHTJJF-UHFFFAOYSA-N
MW220.68 g/mol
LogP0.11
Rot. Bonds4

About 2-[(5-chlorothiadiazol-4-yl)methyl-methylamino]acetamide

2-[(5-chlorothiadiazol-4-yl)methyl-methylamino]acetamide (PubChem CID 43625562) has the molecular formula C6H9ClN4OS and a molecular weight of 220.68 g/mol. Its IUPAC name is 2-[(5-chlorothiadiazol-4-yl)methyl-methylamino]acetamide.

Molecular Properties

Compound Name2-[(5-chlorothiadiazol-4-yl)methyl-methylamino]acetamide
PubChem CID43625562
Molecular FormulaC6H9ClN4OS
Molecular Weight220.68 g/mol
Exact Mass220.02
IUPAC Name2-[(5-chlorothiadiazol-4-yl)methyl-methylamino]acetamide
SMILESCN(CC(N)=O)Cc1nnsc1Cl
InChIInChI=1S/C6H9ClN4OS/c1-11(3-5(8)12)2-4-6(7)13-10-9-4/h2-3H2,1H3,(H2,8,12)
InChIKeyFPBCHAYLBHTJJF-UHFFFAOYSA-N
XLogP0.11
TPSA72.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.68
LogP ≤ 50.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-[(5-chlorothiadiazol-4-yl)methyl-methylamino]acetate
CID 60691499
2-[(5-chlorothiadiazol-4-yl)methyl-methylamino]-N-(2,4,6-trimethylphenyl)acetamide
CID 46614779
N-[(5-chlorothiadiazol-4-yl)methyl]-N-methyl-2-pyrrolidin-1-ylethanamine
CID 63207534
N-[(5-chlorothiadiazol-4-yl)methyl]-N,2-dimethylbutan-2-amine
CID 63983809
N-[(5-chlorothiadiazol-4-yl)methyl]-N-ethylethanamine
CID 43408555
N-[(5-chlorothiadiazol-4-yl)methyl]-N-methyl-2-piperazin-1-ylethanamine
CID 63265603
N-[(5-chlorothiadiazol-4-yl)methyl]-N-methyl-1-(5-methyl-1,2-oxazol-3-yl)methanamine
CID 86983931
N-methyl-2-[methyl-[[5-(methylamino)thiadiazol-4-yl]methyl]amino]acetamide
CID 62183804
(5-chlorothiadiazol-4-yl)methanamine
CID 84649351
2-[(5-aminothiadiazol-4-yl)methyl-methylamino]-N-cyclopropylacetamide
CID 62209102
2-[(5-chlorothiadiazol-4-yl)methyl-propylamino]ethanol
CID 60696603
1-[(5-chlorothiadiazol-4-yl)methyl-methylamino]-3-morpholin-4-ylpropan-2-ol
CID 111916389

Frequently Asked Questions

What is the IUPAC name of 2-[(5-chlorothiadiazol-4-yl)methyl-methylamino]acetamide?
The IUPAC name of 2-[(5-chlorothiadiazol-4-yl)methyl-methylamino]acetamide (CID 43625562) is 2-[(5-chlorothiadiazol-4-yl)methyl-methylamino]acetamide.
What is the SMILES notation for 2-[(5-chlorothiadiazol-4-yl)methyl-methylamino]acetamide?
The canonical SMILES for 2-[(5-chlorothiadiazol-4-yl)methyl-methylamino]acetamide is CN(CC(N)=O)Cc1nnsc1Cl.
What is the InChIKey of 2-[(5-chlorothiadiazol-4-yl)methyl-methylamino]acetamide?
The InChIKey is FPBCHAYLBHTJJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9ClN4OS/c1-11(3-5(8)12)2-4-6(7)13-10-9-4/h2-3H2,1H3,(H2,8,12).
What are the key properties of 2-[(5-chlorothiadiazol-4-yl)methyl-methylamino]acetamide?
2-[(5-chlorothiadiazol-4-yl)methyl-methylamino]acetamide has a molecular weight of 220.68 g/mol, XLogP of 0.11, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-chlorothiadiazol-4-yl)methyl-methylamino]acetamide is sourced from PubChem (CID 43625562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).