2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)acetamide

C10H15F2N5O2S — CID 107482657

IUPAC2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)acetamide
SMILESO=C(CSc1nnnn1C1CC1)N(CCO)CC(F)F
InChIInChI=1S/C10H15F2N5O2S/c11-8(12)5-16(3-4-18)9(19)6-20-10-13-14-15-17(10)7-1-2-7/h7-8,18H,1-6H2
InChIKeyLGVSBHHXNDXQIJ-UHFFFAOYSA-N
MW307.33 g/mol
LogP0.19
Rot. Bonds8

About 2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)acetamide

2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)acetamide (PubChem CID 107482657) has the molecular formula C10H15F2N5O2S and a molecular weight of 307.33 g/mol. Its IUPAC name is 2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)acetamide.

Molecular Properties

Compound Name2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)acetamide
PubChem CID107482657
Molecular FormulaC10H15F2N5O2S
Molecular Weight307.33 g/mol
Exact Mass307.09
IUPAC Name2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)acetamide
SMILESO=C(CSc1nnnn1C1CC1)N(CCO)CC(F)F
InChIInChI=1S/C10H15F2N5O2S/c11-8(12)5-16(3-4-18)9(19)6-20-10-13-14-15-17(10)7-1-2-7/h7-8,18H,1-6H2
InChIKeyLGVSBHHXNDXQIJ-UHFFFAOYSA-N
XLogP0.19
TPSA84.14 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.33
LogP ≤ 50.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide
CID 103726137
2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-(3,3-difluoro-2-hydroxypropyl)acetamide
CID 103769795
2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)acetamide
CID 103857269
2-[(4-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)acetamide
CID 103915488
2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-(2,2-difluoro-3-hydroxypropyl)acetamide
CID 104858166
2-[(4-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)acetamide
CID 107483080
2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-(2-hydroxyethyl)acetamide
CID 43416214
2-(1-Cyclopropyltetrazol-5-yl)sulfanyl-1-[4-(2-hydroxyethyl)piperazin-1-yl]ethanone
CID 43416398
2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-(2-hydroxypropyl)acetamide
CID 43418238
2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-(1-hydroxypropan-2-yl)acetamide
CID 43419091
2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-(2-hydroxyethyl)-N-propan-2-ylacetamide
CID 43572935
N-cyclopropyl-2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-(2-hydroxyethyl)acetamide
CID 43577092

Frequently Asked Questions

What is the IUPAC name of 2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)acetamide?
The IUPAC name of 2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)acetamide (CID 107482657) is 2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)acetamide.
What is the SMILES notation for 2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)acetamide?
The canonical SMILES for 2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)acetamide is O=C(CSc1nnnn1C1CC1)N(CCO)CC(F)F.
What is the InChIKey of 2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)acetamide?
The InChIKey is LGVSBHHXNDXQIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F2N5O2S/c11-8(12)5-16(3-4-18)9(19)6-20-10-13-14-15-17(10)7-1-2-7/h7-8,18H,1-6H2.
What are the key properties of 2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)acetamide?
2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)acetamide has a molecular weight of 307.33 g/mol, XLogP of 0.19, 8 rotatable bonds, 1 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-difluoroethyl)-N-(2-hydroxyethyl)acetamide is sourced from PubChem (CID 107482657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).