N-(propan-2-ylcarbamoyl)-2-[1-(2,2,2-trifluoroethyl)tetrazol-5-yl]sulfanylpropanamide

C10H15F3N6O2S — CID 51106580

IUPACN-(propan-2-ylcarbamoyl)-2-[1-(2,2,2-trifluoroethyl)tetrazol-5-yl]sulfanylpropanamide
SMILESCC(C)NC(=O)NC(=O)C(C)Sc1nnnn1CC(F)(F)F
InChIInChI=1S/C10H15F3N6O2S/c1-5(2)14-8(21)15-7(20)6(3)22-9-16-17-18-19(9)4-10(11,12)13/h5-6H,4H2,1-3H3,(H2,14,15,20,21)
InChIKeyDOPZJTKJFMATBL-UHFFFAOYSA-N
MW340.33 g/mol
LogP0.95
Rot. Bonds5

About N-(propan-2-ylcarbamoyl)-2-[1-(2,2,2-trifluoroethyl)tetrazol-5-yl]sulfanylpropanamide

N-(propan-2-ylcarbamoyl)-2-[1-(2,2,2-trifluoroethyl)tetrazol-5-yl]sulfanylpropanamide (PubChem CID 51106580) has the molecular formula C10H15F3N6O2S and a molecular weight of 340.33 g/mol. Its IUPAC name is N-(propan-2-ylcarbamoyl)-2-[1-(2,2,2-trifluoroethyl)tetrazol-5-yl]sulfanylpropanamide.

Molecular Properties

Compound NameN-(propan-2-ylcarbamoyl)-2-[1-(2,2,2-trifluoroethyl)tetrazol-5-yl]sulfanylpropanamide
PubChem CID51106580
Molecular FormulaC10H15F3N6O2S
Molecular Weight340.33 g/mol
Exact Mass340.09
IUPAC NameN-(propan-2-ylcarbamoyl)-2-[1-(2,2,2-trifluoroethyl)tetrazol-5-yl]sulfanylpropanamide
SMILESCC(C)NC(=O)NC(=O)C(C)Sc1nnnn1CC(F)(F)F
InChIInChI=1S/C10H15F3N6O2S/c1-5(2)14-8(21)15-7(20)6(3)22-9-16-17-18-19(9)4-10(11,12)13/h5-6H,4H2,1-3H3,(H2,14,15,20,21)
InChIKeyDOPZJTKJFMATBL-UHFFFAOYSA-N
XLogP0.95
TPSA101.80 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.33
LogP ≤ 50.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(propan-2-ylcarbamoyl)-2-[1-(2,2,2-trifluoroethyl)tetrazol-5-yl]sulfanylpropanamide?
The IUPAC name of N-(propan-2-ylcarbamoyl)-2-[1-(2,2,2-trifluoroethyl)tetrazol-5-yl]sulfanylpropanamide (CID 51106580) is N-(propan-2-ylcarbamoyl)-2-[1-(2,2,2-trifluoroethyl)tetrazol-5-yl]sulfanylpropanamide.
What is the SMILES notation for N-(propan-2-ylcarbamoyl)-2-[1-(2,2,2-trifluoroethyl)tetrazol-5-yl]sulfanylpropanamide?
The canonical SMILES for N-(propan-2-ylcarbamoyl)-2-[1-(2,2,2-trifluoroethyl)tetrazol-5-yl]sulfanylpropanamide is CC(C)NC(=O)NC(=O)C(C)Sc1nnnn1CC(F)(F)F.
What is the InChIKey of N-(propan-2-ylcarbamoyl)-2-[1-(2,2,2-trifluoroethyl)tetrazol-5-yl]sulfanylpropanamide?
The InChIKey is DOPZJTKJFMATBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F3N6O2S/c1-5(2)14-8(21)15-7(20)6(3)22-9-16-17-18-19(9)4-10(11,12)13/h5-6H,4H2,1-3H3,(H2,14,15,20,21).
What are the key properties of N-(propan-2-ylcarbamoyl)-2-[1-(2,2,2-trifluoroethyl)tetrazol-5-yl]sulfanylpropanamide?
N-(propan-2-ylcarbamoyl)-2-[1-(2,2,2-trifluoroethyl)tetrazol-5-yl]sulfanylpropanamide has a molecular weight of 340.33 g/mol, XLogP of 0.95, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(propan-2-ylcarbamoyl)-2-[1-(2,2,2-trifluoroethyl)tetrazol-5-yl]sulfanylpropanamide is sourced from PubChem (CID 51106580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).