2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]acetamide

C16H17F3N4O2S2 — CID 2995478

IUPAC2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]acetamide
SMILESCc1nnc(SCC(=O)Nc2cc(C(F)(F)F)ccc2N2CCOCC2)s1
InChIInChI=1S/C16H17F3N4O2S2/c1-10-21-22-15(27-10)26-9-14(24)20-12-8-11(16(17,18)19)2-3-13(12)23-4-6-25-7-5-23/h2-3,8H,4-7,9H2,1H3,(H,20,24)
InChIKeyULFGYFZAYURPCE-UHFFFAOYSA-N
MW418.47 g/mol
LogP3.43
Rot. Bonds5

About 2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]acetamide

2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]acetamide (PubChem CID 2995478) has the molecular formula C16H17F3N4O2S2 and a molecular weight of 418.47 g/mol. Its IUPAC name is 2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]acetamide
PubChem CID2995478
Molecular FormulaC16H17F3N4O2S2
Molecular Weight418.47 g/mol
Exact Mass418.07
IUPAC Name2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]acetamide
SMILESCc1nnc(SCC(=O)Nc2cc(C(F)(F)F)ccc2N2CCOCC2)s1
InChIInChI=1S/C16H17F3N4O2S2/c1-10-21-22-15(27-10)26-9-14(24)20-12-8-11(16(17,18)19)2-3-13(12)23-4-6-25-7-5-23/h2-3,8H,4-7,9H2,1H3,(H,20,24)
InChIKeyULFGYFZAYURPCE-UHFFFAOYSA-N
XLogP3.43
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.47
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of 2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]acetamide (CID 2995478) is 2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for 2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for 2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]acetamide is Cc1nnc(SCC(=O)Nc2cc(C(F)(F)F)ccc2N2CCOCC2)s1.
What is the InChIKey of 2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]acetamide?
The InChIKey is ULFGYFZAYURPCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F3N4O2S2/c1-10-21-22-15(27-10)26-9-14(24)20-12-8-11(16(17,18)19)2-3-13(12)23-4-6-25-7-5-23/h2-3,8H,4-7,9H2,1H3,(H,20,24).
What are the key properties of 2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]acetamide?
2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]acetamide has a molecular weight of 418.47 g/mol, XLogP of 3.43, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 2995478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).