N-[5-[1-(difluoromethyl)imidazol-2-yl]-4-methyl-1,3-thiazol-2-yl]-2-(5-oxo-4-thiophen-2-yltetrazol-1-yl)acetamide

C15H12F2N8O2S2 — CID 24626303

IUPACN-[5-[1-(difluoromethyl)imidazol-2-yl]-4-methyl-1,3-thiazol-2-yl]-2-(5-oxo-4-thiophen-2-yltetrazol-1-yl)acetamide
SMILESCc1nc(NC(=O)Cn2nnn(-c3cccs3)c2=O)sc1-c1nccn1C(F)F
InChIInChI=1S/C15H12F2N8O2S2/c1-8-11(12-18-4-5-23(12)13(16)17)29-14(19-8)20-9(26)7-24-15(27)25(22-21-24)10-3-2-6-28-10/h2-6,13H,7H2,1H3,(H,19,20,26)
InChIKeyUKPNLHAUAWCJTE-UHFFFAOYSA-N
MW438.45 g/mol
LogP2.15
Rot. Bonds6

About N-[5-[1-(difluoromethyl)imidazol-2-yl]-4-methyl-1,3-thiazol-2-yl]-2-(5-oxo-4-thiophen-2-yltetrazol-1-yl)acetamide

N-[5-[1-(difluoromethyl)imidazol-2-yl]-4-methyl-1,3-thiazol-2-yl]-2-(5-oxo-4-thiophen-2-yltetrazol-1-yl)acetamide (PubChem CID 24626303) has the molecular formula C15H12F2N8O2S2 and a molecular weight of 438.45 g/mol. Its IUPAC name is N-[5-[1-(difluoromethyl)imidazol-2-yl]-4-methyl-1,3-thiazol-2-yl]-2-(5-oxo-4-thiophen-2-yltetrazol-1-yl)acetamide.

Molecular Properties

Compound NameN-[5-[1-(difluoromethyl)imidazol-2-yl]-4-methyl-1,3-thiazol-2-yl]-2-(5-oxo-4-thiophen-2-yltetrazol-1-yl)acetamide
PubChem CID24626303
Molecular FormulaC15H12F2N8O2S2
Molecular Weight438.45 g/mol
Exact Mass438.05
IUPAC NameN-[5-[1-(difluoromethyl)imidazol-2-yl]-4-methyl-1,3-thiazol-2-yl]-2-(5-oxo-4-thiophen-2-yltetrazol-1-yl)acetamide
SMILESCc1nc(NC(=O)Cn2nnn(-c3cccs3)c2=O)sc1-c1nccn1C(F)F
InChIInChI=1S/C15H12F2N8O2S2/c1-8-11(12-18-4-5-23(12)13(16)17)29-14(19-8)20-9(26)7-24-15(27)25(22-21-24)10-3-2-6-28-10/h2-6,13H,7H2,1H3,(H,19,20,26)
InChIKeyUKPNLHAUAWCJTE-UHFFFAOYSA-N
XLogP2.15
TPSA112.52 Ų
H-Bond Donors1
H-Bond Acceptors11
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.45
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1011

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Frequently Asked Questions

What is the IUPAC name of N-[5-[1-(difluoromethyl)imidazol-2-yl]-4-methyl-1,3-thiazol-2-yl]-2-(5-oxo-4-thiophen-2-yltetrazol-1-yl)acetamide?
The IUPAC name of N-[5-[1-(difluoromethyl)imidazol-2-yl]-4-methyl-1,3-thiazol-2-yl]-2-(5-oxo-4-thiophen-2-yltetrazol-1-yl)acetamide (CID 24626303) is N-[5-[1-(difluoromethyl)imidazol-2-yl]-4-methyl-1,3-thiazol-2-yl]-2-(5-oxo-4-thiophen-2-yltetrazol-1-yl)acetamide.
What is the SMILES notation for N-[5-[1-(difluoromethyl)imidazol-2-yl]-4-methyl-1,3-thiazol-2-yl]-2-(5-oxo-4-thiophen-2-yltetrazol-1-yl)acetamide?
The canonical SMILES for N-[5-[1-(difluoromethyl)imidazol-2-yl]-4-methyl-1,3-thiazol-2-yl]-2-(5-oxo-4-thiophen-2-yltetrazol-1-yl)acetamide is Cc1nc(NC(=O)Cn2nnn(-c3cccs3)c2=O)sc1-c1nccn1C(F)F.
What is the InChIKey of N-[5-[1-(difluoromethyl)imidazol-2-yl]-4-methyl-1,3-thiazol-2-yl]-2-(5-oxo-4-thiophen-2-yltetrazol-1-yl)acetamide?
The InChIKey is UKPNLHAUAWCJTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F2N8O2S2/c1-8-11(12-18-4-5-23(12)13(16)17)29-14(19-8)20-9(26)7-24-15(27)25(22-21-24)10-3-2-6-28-10/h2-6,13H,7H2,1H3,(H,19,20,26).
What are the key properties of N-[5-[1-(difluoromethyl)imidazol-2-yl]-4-methyl-1,3-thiazol-2-yl]-2-(5-oxo-4-thiophen-2-yltetrazol-1-yl)acetamide?
N-[5-[1-(difluoromethyl)imidazol-2-yl]-4-methyl-1,3-thiazol-2-yl]-2-(5-oxo-4-thiophen-2-yltetrazol-1-yl)acetamide has a molecular weight of 438.45 g/mol, XLogP of 2.15, 6 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[1-(difluoromethyl)imidazol-2-yl]-4-methyl-1,3-thiazol-2-yl]-2-(5-oxo-4-thiophen-2-yltetrazol-1-yl)acetamide is sourced from PubChem (CID 24626303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).