2-[(5-propan-2-yloxy-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[(1R,2S)-2-(trifluoromethyl)cyclohexyl]acetamide

C14H20F3N3O2S2 — CID 97018728

IUPAC2-[(5-propan-2-yloxy-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[(1R,2S)-2-(trifluoromethyl)cyclohexyl]acetamide
SMILESCC(C)Oc1nnc(SCC(=O)N[C@@H]2CCCC[C@@H]2C(F)(F)F)s1
InChIInChI=1S/C14H20F3N3O2S2/c1-8(2)22-12-19-20-13(24-12)23-7-11(21)18-10-6-4-3-5-9(10)14(15,16)17/h8-10H,3-7H2,1-2H3,(H,18,21)/t9-,10+/m0/s1
InChIKeyLPJBVYUHWVPJOI-VHSXEESVSA-N
MW383.46 g/mol
LogP3.65
Rot. Bonds6

About 2-[(5-propan-2-yloxy-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[(1R,2S)-2-(trifluoromethyl)cyclohexyl]acetamide

2-[(5-propan-2-yloxy-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[(1R,2S)-2-(trifluoromethyl)cyclohexyl]acetamide (PubChem CID 97018728) has the molecular formula C14H20F3N3O2S2 and a molecular weight of 383.46 g/mol. Its IUPAC name is 2-[(5-propan-2-yloxy-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[(1R,2S)-2-(trifluoromethyl)cyclohexyl]acetamide.

Molecular Properties

Compound Name2-[(5-propan-2-yloxy-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[(1R,2S)-2-(trifluoromethyl)cyclohexyl]acetamide
PubChem CID97018728
Molecular FormulaC14H20F3N3O2S2
Molecular Weight383.46 g/mol
Exact Mass383.09
IUPAC Name2-[(5-propan-2-yloxy-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[(1R,2S)-2-(trifluoromethyl)cyclohexyl]acetamide
SMILESCC(C)Oc1nnc(SCC(=O)N[C@@H]2CCCC[C@@H]2C(F)(F)F)s1
InChIInChI=1S/C14H20F3N3O2S2/c1-8(2)22-12-19-20-13(24-12)23-7-11(21)18-10-6-4-3-5-9(10)14(15,16)17/h8-10H,3-7H2,1-2H3,(H,18,21)/t9-,10+/m0/s1
InChIKeyLPJBVYUHWVPJOI-VHSXEESVSA-N
XLogP3.65
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.46
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[1-(4-fluorophenyl)ethyl]-2-[(5-propan-2-yloxy-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide
CID 55989818
N-(3,3-diphenylpropyl)-2-[(5-propan-2-yloxy-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide
CID 60561112
2-phthalazin-1-ylsulfanyl-N-[2-(trifluoromethyl)cyclohexyl]acetamide
CID 71898581
2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[(1S,2S)-2-methylcyclohexyl]acetamide
CID 978287
2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[(1R,2R)-2-methylcyclohexyl]acetamide
CID 978286
N-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-2-[(5-propan-2-yloxy-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide
CID 55989815
N-(2-phenylsulfanylphenyl)-2-[(5-propan-2-yloxy-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide
CID 55988510
2-[1-(3,5-dimethylphenyl)imidazol-2-yl]sulfanyl-N-[2-(trifluoromethyl)cyclohexyl]acetamide
CID 55525621
N-[(1S,2R)-2-methylcyclohexyl]-2-[(5-pyrrolidin-1-yl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide
CID 94458841
N-(3-iodophenyl)-2-[(5-propan-2-yloxy-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide
CID 55988505
N-[(1R,2R,3R)-2,3-dimethylcyclohexyl]-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide
CID 7474484
N-[(1R,2S,3S)-2,3-dimethylcyclohexyl]-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide
CID 11906405

Frequently Asked Questions

What is the IUPAC name of 2-[(5-propan-2-yloxy-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[(1R,2S)-2-(trifluoromethyl)cyclohexyl]acetamide?
The IUPAC name of 2-[(5-propan-2-yloxy-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[(1R,2S)-2-(trifluoromethyl)cyclohexyl]acetamide (CID 97018728) is 2-[(5-propan-2-yloxy-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[(1R,2S)-2-(trifluoromethyl)cyclohexyl]acetamide.
What is the SMILES notation for 2-[(5-propan-2-yloxy-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[(1R,2S)-2-(trifluoromethyl)cyclohexyl]acetamide?
The canonical SMILES for 2-[(5-propan-2-yloxy-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[(1R,2S)-2-(trifluoromethyl)cyclohexyl]acetamide is CC(C)Oc1nnc(SCC(=O)N[C@@H]2CCCC[C@@H]2C(F)(F)F)s1.
What is the InChIKey of 2-[(5-propan-2-yloxy-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[(1R,2S)-2-(trifluoromethyl)cyclohexyl]acetamide?
The InChIKey is LPJBVYUHWVPJOI-VHSXEESVSA-N. The full InChI is InChI=1S/C14H20F3N3O2S2/c1-8(2)22-12-19-20-13(24-12)23-7-11(21)18-10-6-4-3-5-9(10)14(15,16)17/h8-10H,3-7H2,1-2H3,(H,18,21)/t9-,10+/m0/s1.
What are the key properties of 2-[(5-propan-2-yloxy-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[(1R,2S)-2-(trifluoromethyl)cyclohexyl]acetamide?
2-[(5-propan-2-yloxy-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[(1R,2S)-2-(trifluoromethyl)cyclohexyl]acetamide has a molecular weight of 383.46 g/mol, XLogP of 3.65, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-propan-2-yloxy-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[(1R,2S)-2-(trifluoromethyl)cyclohexyl]acetamide is sourced from PubChem (CID 97018728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).