N-methyl-4-(2H-tetrazol-5-yl)-N-(3,3,3-trifluoro-2-methylpropyl)thiophene-2-carboxamide

C11H12F3N5OS — CID 166312285

IUPACN-methyl-4-(2H-tetrazol-5-yl)-N-(3,3,3-trifluoro-2-methylpropyl)thiophene-2-carboxamide
SMILESCC(CN(C)C(=O)c1cc(-c2nn[nH]n2)cs1)C(F)(F)F
InChIInChI=1S/C11H12F3N5OS/c1-6(11(12,13)14)4-19(2)10(20)8-3-7(5-21-8)9-15-17-18-16-9/h3,5-6H,4H2,1-2H3,(H,15,16,17,18)
InChIKeyFMCWFQWIOXPBAT-UHFFFAOYSA-N
MW319.31 g/mol
LogP2.20
Rot. Bonds4

About N-methyl-4-(2H-tetrazol-5-yl)-N-(3,3,3-trifluoro-2-methylpropyl)thiophene-2-carboxamide

N-methyl-4-(2H-tetrazol-5-yl)-N-(3,3,3-trifluoro-2-methylpropyl)thiophene-2-carboxamide (PubChem CID 166312285) has the molecular formula C11H12F3N5OS and a molecular weight of 319.31 g/mol. Its IUPAC name is N-methyl-4-(2H-tetrazol-5-yl)-N-(3,3,3-trifluoro-2-methylpropyl)thiophene-2-carboxamide.

Molecular Properties

Compound NameN-methyl-4-(2H-tetrazol-5-yl)-N-(3,3,3-trifluoro-2-methylpropyl)thiophene-2-carboxamide
PubChem CID166312285
Molecular FormulaC11H12F3N5OS
Molecular Weight319.31 g/mol
Exact Mass319.07
IUPAC NameN-methyl-4-(2H-tetrazol-5-yl)-N-(3,3,3-trifluoro-2-methylpropyl)thiophene-2-carboxamide
SMILESCC(CN(C)C(=O)c1cc(-c2nn[nH]n2)cs1)C(F)(F)F
InChIInChI=1S/C11H12F3N5OS/c1-6(11(12,13)14)4-19(2)10(20)8-3-7(5-21-8)9-15-17-18-16-9/h3,5-6H,4H2,1-2H3,(H,15,16,17,18)
InChIKeyFMCWFQWIOXPBAT-UHFFFAOYSA-N
XLogP2.20
TPSA74.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.31
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-methyl-4-(2H-tetrazol-5-yl)-N-(3,3,3-trifluoro-2-methylpropyl)thiophene-2-carboxamide?
The IUPAC name of N-methyl-4-(2H-tetrazol-5-yl)-N-(3,3,3-trifluoro-2-methylpropyl)thiophene-2-carboxamide (CID 166312285) is N-methyl-4-(2H-tetrazol-5-yl)-N-(3,3,3-trifluoro-2-methylpropyl)thiophene-2-carboxamide.
What is the SMILES notation for N-methyl-4-(2H-tetrazol-5-yl)-N-(3,3,3-trifluoro-2-methylpropyl)thiophene-2-carboxamide?
The canonical SMILES for N-methyl-4-(2H-tetrazol-5-yl)-N-(3,3,3-trifluoro-2-methylpropyl)thiophene-2-carboxamide is CC(CN(C)C(=O)c1cc(-c2nn[nH]n2)cs1)C(F)(F)F.
What is the InChIKey of N-methyl-4-(2H-tetrazol-5-yl)-N-(3,3,3-trifluoro-2-methylpropyl)thiophene-2-carboxamide?
The InChIKey is FMCWFQWIOXPBAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F3N5OS/c1-6(11(12,13)14)4-19(2)10(20)8-3-7(5-21-8)9-15-17-18-16-9/h3,5-6H,4H2,1-2H3,(H,15,16,17,18).
What are the key properties of N-methyl-4-(2H-tetrazol-5-yl)-N-(3,3,3-trifluoro-2-methylpropyl)thiophene-2-carboxamide?
N-methyl-4-(2H-tetrazol-5-yl)-N-(3,3,3-trifluoro-2-methylpropyl)thiophene-2-carboxamide has a molecular weight of 319.31 g/mol, XLogP of 2.20, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-(2H-tetrazol-5-yl)-N-(3,3,3-trifluoro-2-methylpropyl)thiophene-2-carboxamide is sourced from PubChem (CID 166312285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).