2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[[1-[(2-ethylimidazol-1-yl)methyl]cyclopropyl]methyl]acetamide

C14H20N6OS2 — CID 46993442

IUPAC2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[[1-[(2-ethylimidazol-1-yl)methyl]cyclopropyl]methyl]acetamide
SMILESCCc1nccn1CC1(CNC(=O)CSc2nnc(N)s2)CC1
InChIInChI=1S/C14H20N6OS2/c1-2-10-16-5-6-20(10)9-14(3-4-14)8-17-11(21)7-22-13-19-18-12(15)23-13/h5-6H,2-4,7-9H2,1H3,(H2,15,18)(H,17,21)
InChIKeyPXDRQOQZGRHQES-UHFFFAOYSA-N
MW352.49 g/mol
LogP1.57
Rot. Bonds8

About 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[[1-[(2-ethylimidazol-1-yl)methyl]cyclopropyl]methyl]acetamide

2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[[1-[(2-ethylimidazol-1-yl)methyl]cyclopropyl]methyl]acetamide (PubChem CID 46993442) has the molecular formula C14H20N6OS2 and a molecular weight of 352.49 g/mol. Its IUPAC name is 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[[1-[(2-ethylimidazol-1-yl)methyl]cyclopropyl]methyl]acetamide.

Molecular Properties

Compound Name2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[[1-[(2-ethylimidazol-1-yl)methyl]cyclopropyl]methyl]acetamide
PubChem CID46993442
Molecular FormulaC14H20N6OS2
Molecular Weight352.49 g/mol
Exact Mass352.11
IUPAC Name2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[[1-[(2-ethylimidazol-1-yl)methyl]cyclopropyl]methyl]acetamide
SMILESCCc1nccn1CC1(CNC(=O)CSc2nnc(N)s2)CC1
InChIInChI=1S/C14H20N6OS2/c1-2-10-16-5-6-20(10)9-14(3-4-14)8-17-11(21)7-22-13-19-18-12(15)23-13/h5-6H,2-4,7-9H2,1H3,(H2,15,18)(H,17,21)
InChIKeyPXDRQOQZGRHQES-UHFFFAOYSA-N
XLogP1.57
TPSA98.72 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.49
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[[1-[(2-ethylimidazol-1-yl)methyl]cyclopropyl]methyl]acetamide?
The IUPAC name of 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[[1-[(2-ethylimidazol-1-yl)methyl]cyclopropyl]methyl]acetamide (CID 46993442) is 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[[1-[(2-ethylimidazol-1-yl)methyl]cyclopropyl]methyl]acetamide.
What is the SMILES notation for 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[[1-[(2-ethylimidazol-1-yl)methyl]cyclopropyl]methyl]acetamide?
The canonical SMILES for 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[[1-[(2-ethylimidazol-1-yl)methyl]cyclopropyl]methyl]acetamide is CCc1nccn1CC1(CNC(=O)CSc2nnc(N)s2)CC1.
What is the InChIKey of 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[[1-[(2-ethylimidazol-1-yl)methyl]cyclopropyl]methyl]acetamide?
The InChIKey is PXDRQOQZGRHQES-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N6OS2/c1-2-10-16-5-6-20(10)9-14(3-4-14)8-17-11(21)7-22-13-19-18-12(15)23-13/h5-6H,2-4,7-9H2,1H3,(H2,15,18)(H,17,21).
What are the key properties of 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[[1-[(2-ethylimidazol-1-yl)methyl]cyclopropyl]methyl]acetamide?
2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[[1-[(2-ethylimidazol-1-yl)methyl]cyclopropyl]methyl]acetamide has a molecular weight of 352.49 g/mol, XLogP of 1.57, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[[1-[(2-ethylimidazol-1-yl)methyl]cyclopropyl]methyl]acetamide is sourced from PubChem (CID 46993442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).