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

C7H11ClN4OS — CID 43408936

IUPAC2-[(5-chlorothiadiazol-4-yl)methyl-methylamino]-N-methylacetamide
SMILESCNC(=O)CN(C)Cc1nnsc1Cl
InChIInChI=1S/C7H11ClN4OS/c1-9-6(13)4-12(2)3-5-7(8)14-11-10-5/h3-4H2,1-2H3,(H,9,13)
InChIKeyNMXLTCQQABDJMX-UHFFFAOYSA-N
MW234.71 g/mol
LogP0.37
Rot. Bonds4

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

2-[(5-chlorothiadiazol-4-yl)methyl-methylamino]-N-methylacetamide (PubChem CID 43408936) has the molecular formula C7H11ClN4OS and a molecular weight of 234.71 g/mol. Its IUPAC name is 2-[(5-chlorothiadiazol-4-yl)methyl-methylamino]-N-methylacetamide.

Molecular Properties

Compound Name2-[(5-chlorothiadiazol-4-yl)methyl-methylamino]-N-methylacetamide
PubChem CID43408936
Molecular FormulaC7H11ClN4OS
Molecular Weight234.71 g/mol
Exact Mass234.03
IUPAC Name2-[(5-chlorothiadiazol-4-yl)methyl-methylamino]-N-methylacetamide
SMILESCNC(=O)CN(C)Cc1nnsc1Cl
InChIInChI=1S/C7H11ClN4OS/c1-9-6(13)4-12(2)3-5-7(8)14-11-10-5/h3-4H2,1-2H3,(H,9,13)
InChIKeyNMXLTCQQABDJMX-UHFFFAOYSA-N
XLogP0.37
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.71
LogP ≤ 50.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-2-[(5-chlorothiadiazol-4-yl)methylamino]-3,3-dimethylbutanamide
CID 71983348
2-[4-[(5-chlorothiadiazol-4-yl)methyl]piperazin-1-yl]-N-cyclopropylacetamide
CID 16364921
2-(((5-Chloro-1,2,3-thiadiazol-4-yl)methyl)(methyl)amino)-N-propylacetamide
CID 24490933
2-[(5-chlorothiadiazol-4-yl)methyl-methylamino]-N-propan-2-ylacetamide
CID 24492306
2-[4-[(5-chlorothiadiazol-4-yl)methyl]piperazin-1-yl]-N-prop-2-enylacetamide
CID 31688574
N-tert-butyl-2-[(5-chlorothiadiazol-4-yl)methyl-ethylamino]acetamide
CID 32104543
2-[(5-chlorothiadiazol-4-yl)methyl-methylamino]-N-cyclopropylacetamide
CID 35886365
4-[(5-Chlorothiadiazol-4-yl)methyl]piperazin-2-one
CID 40005523
N-butyl-2-[4-[(5-chlorothiadiazol-4-yl)methyl]piperazin-1-yl]acetamide
CID 43013261
2-[(5-chlorothiadiazol-4-yl)methyl-methylamino]-N,N-dimethylacetamide
CID 43407879
1-[4-[(5-Chlorothiadiazol-4-yl)methyl]piperazin-1-yl]ethanone
CID 43408265
2-[(5-Chlorothiadiazol-4-yl)methyl-methylamino]acetamide
CID 43625562

Frequently Asked Questions

What is the IUPAC name of 2-[(5-chlorothiadiazol-4-yl)methyl-methylamino]-N-methylacetamide?
The IUPAC name of 2-[(5-chlorothiadiazol-4-yl)methyl-methylamino]-N-methylacetamide (CID 43408936) is 2-[(5-chlorothiadiazol-4-yl)methyl-methylamino]-N-methylacetamide.
What is the SMILES notation for 2-[(5-chlorothiadiazol-4-yl)methyl-methylamino]-N-methylacetamide?
The canonical SMILES for 2-[(5-chlorothiadiazol-4-yl)methyl-methylamino]-N-methylacetamide is CNC(=O)CN(C)Cc1nnsc1Cl.
What is the InChIKey of 2-[(5-chlorothiadiazol-4-yl)methyl-methylamino]-N-methylacetamide?
The InChIKey is NMXLTCQQABDJMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11ClN4OS/c1-9-6(13)4-12(2)3-5-7(8)14-11-10-5/h3-4H2,1-2H3,(H,9,13).
What are the key properties of 2-[(5-chlorothiadiazol-4-yl)methyl-methylamino]-N-methylacetamide?
2-[(5-chlorothiadiazol-4-yl)methyl-methylamino]-N-methylacetamide has a molecular weight of 234.71 g/mol, XLogP of 0.37, 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]-N-methylacetamide is sourced from PubChem (CID 43408936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).