2-[[1-(difluoromethyl)imidazol-2-yl]methyl-methylamino]-N-(1,3,4-thiadiazol-2-yl)acetamide

C10H12F2N6OS — CID 71986589

IUPAC2-[[1-(difluoromethyl)imidazol-2-yl]methyl-methylamino]-N-(1,3,4-thiadiazol-2-yl)acetamide
SMILESCN(CC(=O)Nc1nncs1)Cc1nccn1C(F)F
InChIInChI=1S/C10H12F2N6OS/c1-17(4-7-13-2-3-18(7)9(11)12)5-8(19)15-10-16-14-6-20-10/h2-3,6,9H,4-5H2,1H3,(H,15,16,19)
InChIKeyREWCKZVIEFWJOF-UHFFFAOYSA-N
MW302.31 g/mol
LogP1.20
Rot. Bonds6

About 2-[[1-(difluoromethyl)imidazol-2-yl]methyl-methylamino]-N-(1,3,4-thiadiazol-2-yl)acetamide

2-[[1-(difluoromethyl)imidazol-2-yl]methyl-methylamino]-N-(1,3,4-thiadiazol-2-yl)acetamide (PubChem CID 71986589) has the molecular formula C10H12F2N6OS and a molecular weight of 302.31 g/mol. Its IUPAC name is 2-[[1-(difluoromethyl)imidazol-2-yl]methyl-methylamino]-N-(1,3,4-thiadiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-[[1-(difluoromethyl)imidazol-2-yl]methyl-methylamino]-N-(1,3,4-thiadiazol-2-yl)acetamide
PubChem CID71986589
Molecular FormulaC10H12F2N6OS
Molecular Weight302.31 g/mol
Exact Mass302.08
IUPAC Name2-[[1-(difluoromethyl)imidazol-2-yl]methyl-methylamino]-N-(1,3,4-thiadiazol-2-yl)acetamide
SMILESCN(CC(=O)Nc1nncs1)Cc1nccn1C(F)F
InChIInChI=1S/C10H12F2N6OS/c1-17(4-7-13-2-3-18(7)9(11)12)5-8(19)15-10-16-14-6-20-10/h2-3,6,9H,4-5H2,1H3,(H,15,16,19)
InChIKeyREWCKZVIEFWJOF-UHFFFAOYSA-N
XLogP1.20
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.31
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[[1-(difluoromethyl)imidazol-2-yl]methyl-methylamino]-N-(1,3,4-thiadiazol-2-yl)acetamide?
The IUPAC name of 2-[[1-(difluoromethyl)imidazol-2-yl]methyl-methylamino]-N-(1,3,4-thiadiazol-2-yl)acetamide (CID 71986589) is 2-[[1-(difluoromethyl)imidazol-2-yl]methyl-methylamino]-N-(1,3,4-thiadiazol-2-yl)acetamide.
What is the SMILES notation for 2-[[1-(difluoromethyl)imidazol-2-yl]methyl-methylamino]-N-(1,3,4-thiadiazol-2-yl)acetamide?
The canonical SMILES for 2-[[1-(difluoromethyl)imidazol-2-yl]methyl-methylamino]-N-(1,3,4-thiadiazol-2-yl)acetamide is CN(CC(=O)Nc1nncs1)Cc1nccn1C(F)F.
What is the InChIKey of 2-[[1-(difluoromethyl)imidazol-2-yl]methyl-methylamino]-N-(1,3,4-thiadiazol-2-yl)acetamide?
The InChIKey is REWCKZVIEFWJOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F2N6OS/c1-17(4-7-13-2-3-18(7)9(11)12)5-8(19)15-10-16-14-6-20-10/h2-3,6,9H,4-5H2,1H3,(H,15,16,19).
What are the key properties of 2-[[1-(difluoromethyl)imidazol-2-yl]methyl-methylamino]-N-(1,3,4-thiadiazol-2-yl)acetamide?
2-[[1-(difluoromethyl)imidazol-2-yl]methyl-methylamino]-N-(1,3,4-thiadiazol-2-yl)acetamide has a molecular weight of 302.31 g/mol, XLogP of 1.20, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(difluoromethyl)imidazol-2-yl]methyl-methylamino]-N-(1,3,4-thiadiazol-2-yl)acetamide is sourced from PubChem (CID 71986589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).