2-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]sulfanyl-N-(2,2,2-trifluoroethyl)acetamide

C10H10F3N5OS2 — CID 36987464

IUPAC2-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]sulfanyl-N-(2,2,2-trifluoroethyl)acetamide
SMILESO=C(CSc1nnnn1Cc1cccs1)NCC(F)(F)F
InChIInChI=1S/C10H10F3N5OS2/c11-10(12,13)6-14-8(19)5-21-9-15-16-17-18(9)4-7-2-1-3-20-7/h1-3H,4-6H2,(H,14,19)
InChIKeyOUDAIWPYTZOCIY-UHFFFAOYSA-N
MW337.35 g/mol
LogP1.55
Rot. Bonds6

About 2-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]sulfanyl-N-(2,2,2-trifluoroethyl)acetamide

2-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]sulfanyl-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 36987464) has the molecular formula C10H10F3N5OS2 and a molecular weight of 337.35 g/mol. Its IUPAC name is 2-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]sulfanyl-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound Name2-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]sulfanyl-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID36987464
Molecular FormulaC10H10F3N5OS2
Molecular Weight337.35 g/mol
Exact Mass337.03
IUPAC Name2-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]sulfanyl-N-(2,2,2-trifluoroethyl)acetamide
SMILESO=C(CSc1nnnn1Cc1cccs1)NCC(F)(F)F
InChIInChI=1S/C10H10F3N5OS2/c11-10(12,13)6-14-8(19)5-21-9-15-16-17-18(9)4-7-2-1-3-20-7/h1-3H,4-6H2,(H,14,19)
InChIKeyOUDAIWPYTZOCIY-UHFFFAOYSA-N
XLogP1.55
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.35
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]sulfanyl-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of 2-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]sulfanyl-N-(2,2,2-trifluoroethyl)acetamide (CID 36987464) is 2-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]sulfanyl-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for 2-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]sulfanyl-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for 2-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]sulfanyl-N-(2,2,2-trifluoroethyl)acetamide is O=C(CSc1nnnn1Cc1cccs1)NCC(F)(F)F.
What is the InChIKey of 2-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]sulfanyl-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is OUDAIWPYTZOCIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F3N5OS2/c11-10(12,13)6-14-8(19)5-21-9-15-16-17-18(9)4-7-2-1-3-20-7/h1-3H,4-6H2,(H,14,19).
What are the key properties of 2-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]sulfanyl-N-(2,2,2-trifluoroethyl)acetamide?
2-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]sulfanyl-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 337.35 g/mol, XLogP of 1.55, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]sulfanyl-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 36987464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).