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

C10H14F3N5O2S — CID 103857269

IUPAC2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)acetamide
SMILESO=C(CSc1nnnn1C1CC1)N(CCO)CC(F)(F)F
InChIInChI=1S/C10H14F3N5O2S/c11-10(12,13)6-17(3-4-19)8(20)5-21-9-14-15-16-18(9)7-1-2-7/h7,19H,1-6H2
InChIKeyVHMMYLKZKVREKM-UHFFFAOYSA-N
MW325.32 g/mol
LogP0.48
Rot. Bonds7

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

2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 103857269) has the molecular formula C10H14F3N5O2S and a molecular weight of 325.32 g/mol. Its IUPAC name is 2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound Name2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID103857269
Molecular FormulaC10H14F3N5O2S
Molecular Weight325.32 g/mol
Exact Mass325.08
IUPAC Name2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)acetamide
SMILESO=C(CSc1nnnn1C1CC1)N(CCO)CC(F)(F)F
InChIInChI=1S/C10H14F3N5O2S/c11-10(12,13)6-17(3-4-19)8(20)5-21-9-14-15-16-18(9)7-1-2-7/h7,19H,1-6H2
InChIKeyVHMMYLKZKVREKM-UHFFFAOYSA-N
XLogP0.48
TPSA84.14 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.32
LogP ≤ 50.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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-[(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-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)acetamide
CID 107482657
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-hydroxyethyl)-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of 2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)acetamide (CID 103857269) is 2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for 2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for 2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)acetamide is O=C(CSc1nnnn1C1CC1)N(CCO)CC(F)(F)F.
What is the InChIKey of 2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is VHMMYLKZKVREKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F3N5O2S/c11-10(12,13)6-17(3-4-19)8(20)5-21-9-14-15-16-18(9)7-1-2-7/h7,19H,1-6H2.
What are the key properties of 2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)acetamide?
2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 325.32 g/mol, XLogP of 0.48, 7 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-hydroxyethyl)-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 103857269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).