2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-(2,2-difluoro-3-hydroxypropyl)acetamide

C9H13F2N5O2S — CID 104858166

IUPAC2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-(2,2-difluoro-3-hydroxypropyl)acetamide
SMILESO=C(CSc1nnnn1C1CC1)NCC(F)(F)CO
InChIInChI=1S/C9H13F2N5O2S/c10-9(11,5-17)4-12-7(18)3-19-8-13-14-15-16(8)6-1-2-6/h6,17H,1-5H2,(H,12,18)
InChIKeyQGZUQRZFNFZIEC-UHFFFAOYSA-N
MW293.30 g/mol
LogP-0.16
Rot. Bonds7

About 2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-(2,2-difluoro-3-hydroxypropyl)acetamide

2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-(2,2-difluoro-3-hydroxypropyl)acetamide (PubChem CID 104858166) has the molecular formula C9H13F2N5O2S and a molecular weight of 293.30 g/mol. Its IUPAC name is 2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-(2,2-difluoro-3-hydroxypropyl)acetamide.

Molecular Properties

Compound Name2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-(2,2-difluoro-3-hydroxypropyl)acetamide
PubChem CID104858166
Molecular FormulaC9H13F2N5O2S
Molecular Weight293.30 g/mol
Exact Mass293.08
IUPAC Name2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-(2,2-difluoro-3-hydroxypropyl)acetamide
SMILESO=C(CSc1nnnn1C1CC1)NCC(F)(F)CO
InChIInChI=1S/C9H13F2N5O2S/c10-9(11,5-17)4-12-7(18)3-19-8-13-14-15-16(8)6-1-2-6/h6,17H,1-5H2,(H,12,18)
InChIKeyQGZUQRZFNFZIEC-UHFFFAOYSA-N
XLogP-0.16
TPSA92.93 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.30
LogP ≤ 5-0.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-(2,2-difluoro-3-hydroxypropyl)acetamide?
The IUPAC name of 2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-(2,2-difluoro-3-hydroxypropyl)acetamide (CID 104858166) is 2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-(2,2-difluoro-3-hydroxypropyl)acetamide.
What is the SMILES notation for 2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-(2,2-difluoro-3-hydroxypropyl)acetamide?
The canonical SMILES for 2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-(2,2-difluoro-3-hydroxypropyl)acetamide is O=C(CSc1nnnn1C1CC1)NCC(F)(F)CO.
What is the InChIKey of 2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-(2,2-difluoro-3-hydroxypropyl)acetamide?
The InChIKey is QGZUQRZFNFZIEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F2N5O2S/c10-9(11,5-17)4-12-7(18)3-19-8-13-14-15-16(8)6-1-2-6/h6,17H,1-5H2,(H,12,18).
What are the key properties of 2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-(2,2-difluoro-3-hydroxypropyl)acetamide?
2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-(2,2-difluoro-3-hydroxypropyl)acetamide has a molecular weight of 293.30 g/mol, XLogP of -0.16, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-(2,2-difluoro-3-hydroxypropyl)acetamide is sourced from PubChem (CID 104858166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).