[5-(difluoromethyl)thiophen-2-yl]-[4-methyl-4-(2H-tetrazol-5-yl)piperidin-1-yl]methanone

C13H15F2N5OS — CID 167980427

IUPAC[5-(difluoromethyl)thiophen-2-yl]-[4-methyl-4-(2H-tetrazol-5-yl)piperidin-1-yl]methanone
SMILESCC1(c2nn[nH]n2)CCN(C(=O)c2ccc(C(F)F)s2)CC1
InChIInChI=1S/C13H15F2N5OS/c1-13(12-16-18-19-17-12)4-6-20(7-5-13)11(21)9-3-2-8(22-9)10(14)15/h2-3,10H,4-7H2,1H3,(H,16,17,18,19)
InChIKeyAVWFHRIYMZHECL-UHFFFAOYSA-N
MW327.36 g/mol
LogP2.39
Rot. Bonds3

About [5-(difluoromethyl)thiophen-2-yl]-[4-methyl-4-(2H-tetrazol-5-yl)piperidin-1-yl]methanone

[5-(difluoromethyl)thiophen-2-yl]-[4-methyl-4-(2H-tetrazol-5-yl)piperidin-1-yl]methanone (PubChem CID 167980427) has the molecular formula C13H15F2N5OS and a molecular weight of 327.36 g/mol. Its IUPAC name is [5-(difluoromethyl)thiophen-2-yl]-[4-methyl-4-(2H-tetrazol-5-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name[5-(difluoromethyl)thiophen-2-yl]-[4-methyl-4-(2H-tetrazol-5-yl)piperidin-1-yl]methanone
PubChem CID167980427
Molecular FormulaC13H15F2N5OS
Molecular Weight327.36 g/mol
Exact Mass327.10
IUPAC Name[5-(difluoromethyl)thiophen-2-yl]-[4-methyl-4-(2H-tetrazol-5-yl)piperidin-1-yl]methanone
SMILESCC1(c2nn[nH]n2)CCN(C(=O)c2ccc(C(F)F)s2)CC1
InChIInChI=1S/C13H15F2N5OS/c1-13(12-16-18-19-17-12)4-6-20(7-5-13)11(21)9-3-2-8(22-9)10(14)15/h2-3,10H,4-7H2,1H3,(H,16,17,18,19)
InChIKeyAVWFHRIYMZHECL-UHFFFAOYSA-N
XLogP2.39
TPSA74.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.36
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [5-(difluoromethyl)thiophen-2-yl]-[4-methyl-4-(2H-tetrazol-5-yl)piperidin-1-yl]methanone?
The IUPAC name of [5-(difluoromethyl)thiophen-2-yl]-[4-methyl-4-(2H-tetrazol-5-yl)piperidin-1-yl]methanone (CID 167980427) is [5-(difluoromethyl)thiophen-2-yl]-[4-methyl-4-(2H-tetrazol-5-yl)piperidin-1-yl]methanone.
What is the SMILES notation for [5-(difluoromethyl)thiophen-2-yl]-[4-methyl-4-(2H-tetrazol-5-yl)piperidin-1-yl]methanone?
The canonical SMILES for [5-(difluoromethyl)thiophen-2-yl]-[4-methyl-4-(2H-tetrazol-5-yl)piperidin-1-yl]methanone is CC1(c2nn[nH]n2)CCN(C(=O)c2ccc(C(F)F)s2)CC1.
What is the InChIKey of [5-(difluoromethyl)thiophen-2-yl]-[4-methyl-4-(2H-tetrazol-5-yl)piperidin-1-yl]methanone?
The InChIKey is AVWFHRIYMZHECL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F2N5OS/c1-13(12-16-18-19-17-12)4-6-20(7-5-13)11(21)9-3-2-8(22-9)10(14)15/h2-3,10H,4-7H2,1H3,(H,16,17,18,19).
What are the key properties of [5-(difluoromethyl)thiophen-2-yl]-[4-methyl-4-(2H-tetrazol-5-yl)piperidin-1-yl]methanone?
[5-(difluoromethyl)thiophen-2-yl]-[4-methyl-4-(2H-tetrazol-5-yl)piperidin-1-yl]methanone has a molecular weight of 327.36 g/mol, XLogP of 2.39, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(difluoromethyl)thiophen-2-yl]-[4-methyl-4-(2H-tetrazol-5-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 167980427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).