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

C9H15ClN4OS — CID 47204514

IUPAC2-[butyl-[(5-chlorothiadiazol-4-yl)methyl]amino]acetamide
SMILESCCCCN(CC(N)=O)Cc1nnsc1Cl
InChIInChI=1S/C9H15ClN4OS/c1-2-3-4-14(6-8(11)15)5-7-9(10)16-13-12-7/h2-6H2,1H3,(H2,11,15)
InChIKeyHNRFOIVCKVJRIU-UHFFFAOYSA-N
MW262.77 g/mol
LogP1.28
Rot. Bonds7

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

2-[butyl-[(5-chlorothiadiazol-4-yl)methyl]amino]acetamide (PubChem CID 47204514) has the molecular formula C9H15ClN4OS and a molecular weight of 262.77 g/mol. Its IUPAC name is 2-[butyl-[(5-chlorothiadiazol-4-yl)methyl]amino]acetamide.

Molecular Properties

Compound Name2-[butyl-[(5-chlorothiadiazol-4-yl)methyl]amino]acetamide
PubChem CID47204514
Molecular FormulaC9H15ClN4OS
Molecular Weight262.77 g/mol
Exact Mass262.07
IUPAC Name2-[butyl-[(5-chlorothiadiazol-4-yl)methyl]amino]acetamide
SMILESCCCCN(CC(N)=O)Cc1nnsc1Cl
InChIInChI=1S/C9H15ClN4OS/c1-2-3-4-14(6-8(11)15)5-7-9(10)16-13-12-7/h2-6H2,1H3,(H2,11,15)
InChIKeyHNRFOIVCKVJRIU-UHFFFAOYSA-N
XLogP1.28
TPSA72.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.77
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[butyl-[(5-chlorothiadiazol-4-yl)methyl]amino]acetamide?
The IUPAC name of 2-[butyl-[(5-chlorothiadiazol-4-yl)methyl]amino]acetamide (CID 47204514) is 2-[butyl-[(5-chlorothiadiazol-4-yl)methyl]amino]acetamide.
What is the SMILES notation for 2-[butyl-[(5-chlorothiadiazol-4-yl)methyl]amino]acetamide?
The canonical SMILES for 2-[butyl-[(5-chlorothiadiazol-4-yl)methyl]amino]acetamide is CCCCN(CC(N)=O)Cc1nnsc1Cl.
What is the InChIKey of 2-[butyl-[(5-chlorothiadiazol-4-yl)methyl]amino]acetamide?
The InChIKey is HNRFOIVCKVJRIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15ClN4OS/c1-2-3-4-14(6-8(11)15)5-7-9(10)16-13-12-7/h2-6H2,1H3,(H2,11,15).
What are the key properties of 2-[butyl-[(5-chlorothiadiazol-4-yl)methyl]amino]acetamide?
2-[butyl-[(5-chlorothiadiazol-4-yl)methyl]amino]acetamide has a molecular weight of 262.77 g/mol, XLogP of 1.28, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[butyl-[(5-chlorothiadiazol-4-yl)methyl]amino]acetamide is sourced from PubChem (CID 47204514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).