2-[(5-chlorothiadiazol-4-yl)methyl-ethylamino]-N-ethylacetamide

C9H15ClN4OS — CID 51226312

IUPAC2-[(5-chlorothiadiazol-4-yl)methyl-ethylamino]-N-ethylacetamide
SMILESCCNC(=O)CN(CC)Cc1nnsc1Cl
InChIInChI=1S/C9H15ClN4OS/c1-3-11-8(15)6-14(4-2)5-7-9(10)16-13-12-7/h3-6H2,1-2H3,(H,11,15)
InChIKeySVUITAFYMMCSGF-UHFFFAOYSA-N
MW262.77 g/mol
LogP1.15
Rot. Bonds6

About 2-[(5-chlorothiadiazol-4-yl)methyl-ethylamino]-N-ethylacetamide

2-[(5-chlorothiadiazol-4-yl)methyl-ethylamino]-N-ethylacetamide (PubChem CID 51226312) has the molecular formula C9H15ClN4OS and a molecular weight of 262.77 g/mol. Its IUPAC name is 2-[(5-chlorothiadiazol-4-yl)methyl-ethylamino]-N-ethylacetamide.

Molecular Properties

Compound Name2-[(5-chlorothiadiazol-4-yl)methyl-ethylamino]-N-ethylacetamide
PubChem CID51226312
Molecular FormulaC9H15ClN4OS
Molecular Weight262.77 g/mol
Exact Mass262.07
IUPAC Name2-[(5-chlorothiadiazol-4-yl)methyl-ethylamino]-N-ethylacetamide
SMILESCCNC(=O)CN(CC)Cc1nnsc1Cl
InChIInChI=1S/C9H15ClN4OS/c1-3-11-8(15)6-14(4-2)5-7-9(10)16-13-12-7/h3-6H2,1-2H3,(H,11,15)
InChIKeySVUITAFYMMCSGF-UHFFFAOYSA-N
XLogP1.15
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.77
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(5-Chloro-1,2,3-thiadiazol-4-yl)methyl]-5,5-dimethylimidazolidine-2,4-dione
CID 43407959
2-[(5-chlorothiadiazol-4-yl)methyl-methylamino]-N-methylacetamide
CID 43408936
(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
6-Amino-1-butyl-5-[(5-chlorothiadiazol-4-yl)methyl-ethylamino]pyrimidine-2,4-dione
CID 24595594
6-Amino-1-butyl-5-[(5-chlorothiadiazol-4-yl)methyl-propylamino]pyrimidine-2,4-dione
CID 24616814
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

Frequently Asked Questions

What is the IUPAC name of 2-[(5-chlorothiadiazol-4-yl)methyl-ethylamino]-N-ethylacetamide?
The IUPAC name of 2-[(5-chlorothiadiazol-4-yl)methyl-ethylamino]-N-ethylacetamide (CID 51226312) is 2-[(5-chlorothiadiazol-4-yl)methyl-ethylamino]-N-ethylacetamide.
What is the SMILES notation for 2-[(5-chlorothiadiazol-4-yl)methyl-ethylamino]-N-ethylacetamide?
The canonical SMILES for 2-[(5-chlorothiadiazol-4-yl)methyl-ethylamino]-N-ethylacetamide is CCNC(=O)CN(CC)Cc1nnsc1Cl.
What is the InChIKey of 2-[(5-chlorothiadiazol-4-yl)methyl-ethylamino]-N-ethylacetamide?
The InChIKey is SVUITAFYMMCSGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15ClN4OS/c1-3-11-8(15)6-14(4-2)5-7-9(10)16-13-12-7/h3-6H2,1-2H3,(H,11,15).
What are the key properties of 2-[(5-chlorothiadiazol-4-yl)methyl-ethylamino]-N-ethylacetamide?
2-[(5-chlorothiadiazol-4-yl)methyl-ethylamino]-N-ethylacetamide has a molecular weight of 262.77 g/mol, XLogP of 1.15, 6 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-ethylamino]-N-ethylacetamide is sourced from PubChem (CID 51226312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).