2-[(5-chlorothiadiazol-4-yl)methyl-propylamino]-N,N-dimethylacetamide

C10H17ClN4OS — CID 54978959

IUPAC2-[(5-chlorothiadiazol-4-yl)methyl-propylamino]-N,N-dimethylacetamide
SMILESCCCN(CC(=O)N(C)C)Cc1nnsc1Cl
InChIInChI=1S/C10H17ClN4OS/c1-4-5-15(7-9(16)14(2)3)6-8-10(11)17-13-12-8/h4-7H2,1-3H3
InChIKeyMRMVASGZSWTGCA-UHFFFAOYSA-N
MW276.79 g/mol
LogP1.49
Rot. Bonds6

About 2-[(5-chlorothiadiazol-4-yl)methyl-propylamino]-N,N-dimethylacetamide

2-[(5-chlorothiadiazol-4-yl)methyl-propylamino]-N,N-dimethylacetamide (PubChem CID 54978959) has the molecular formula C10H17ClN4OS and a molecular weight of 276.79 g/mol. Its IUPAC name is 2-[(5-chlorothiadiazol-4-yl)methyl-propylamino]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[(5-chlorothiadiazol-4-yl)methyl-propylamino]-N,N-dimethylacetamide
PubChem CID54978959
Molecular FormulaC10H17ClN4OS
Molecular Weight276.79 g/mol
Exact Mass276.08
IUPAC Name2-[(5-chlorothiadiazol-4-yl)methyl-propylamino]-N,N-dimethylacetamide
SMILESCCCN(CC(=O)N(C)C)Cc1nnsc1Cl
InChIInChI=1S/C10H17ClN4OS/c1-4-5-15(7-9(16)14(2)3)6-8-10(11)17-13-12-8/h4-7H2,1-3H3
InChIKeyMRMVASGZSWTGCA-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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Related Compounds

N-[(5-chlorothiadiazol-4-yl)methyl]-N-propylpropan-1-amine
CID 43408567
2-[(5-chlorothiadiazol-4-yl)methyl-methylamino]-N-methylacetamide
CID 43408936
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
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-propylamino]-N,N-dimethylacetamide?
The IUPAC name of 2-[(5-chlorothiadiazol-4-yl)methyl-propylamino]-N,N-dimethylacetamide (CID 54978959) is 2-[(5-chlorothiadiazol-4-yl)methyl-propylamino]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[(5-chlorothiadiazol-4-yl)methyl-propylamino]-N,N-dimethylacetamide?
The canonical SMILES for 2-[(5-chlorothiadiazol-4-yl)methyl-propylamino]-N,N-dimethylacetamide is CCCN(CC(=O)N(C)C)Cc1nnsc1Cl.
What is the InChIKey of 2-[(5-chlorothiadiazol-4-yl)methyl-propylamino]-N,N-dimethylacetamide?
The InChIKey is MRMVASGZSWTGCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17ClN4OS/c1-4-5-15(7-9(16)14(2)3)6-8-10(11)17-13-12-8/h4-7H2,1-3H3.
What are the key properties of 2-[(5-chlorothiadiazol-4-yl)methyl-propylamino]-N,N-dimethylacetamide?
2-[(5-chlorothiadiazol-4-yl)methyl-propylamino]-N,N-dimethylacetamide 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-chlorothiadiazol-4-yl)methyl-propylamino]-N,N-dimethylacetamide is sourced from PubChem (CID 54978959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).