2-thiomorpholin-3-yl-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]acetamide

C9H11F3N4OS2 — CID 119936088

IUPAC2-thiomorpholin-3-yl-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]acetamide
SMILESO=C(CC1CSCCN1)Nc1nnc(C(F)(F)F)s1
InChIInChI=1S/C9H11F3N4OS2/c10-9(11,12)7-15-16-8(19-7)14-6(17)3-5-4-18-2-1-13-5/h5,13H,1-4H2,(H,14,16,17)
InChIKeyVJLWHOMCSTZWMS-UHFFFAOYSA-N
MW312.34 g/mol
LogP1.59
Rot. Bonds3

About 2-thiomorpholin-3-yl-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]acetamide

2-thiomorpholin-3-yl-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]acetamide (PubChem CID 119936088) has the molecular formula C9H11F3N4OS2 and a molecular weight of 312.34 g/mol. Its IUPAC name is 2-thiomorpholin-3-yl-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]acetamide.

Molecular Properties

Compound Name2-thiomorpholin-3-yl-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]acetamide
PubChem CID119936088
Molecular FormulaC9H11F3N4OS2
Molecular Weight312.34 g/mol
Exact Mass312.03
IUPAC Name2-thiomorpholin-3-yl-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]acetamide
SMILESO=C(CC1CSCCN1)Nc1nnc(C(F)(F)F)s1
InChIInChI=1S/C9H11F3N4OS2/c10-9(11,12)7-15-16-8(19-7)14-6(17)3-5-4-18-2-1-13-5/h5,13H,1-4H2,(H,14,16,17)
InChIKeyVJLWHOMCSTZWMS-UHFFFAOYSA-N
XLogP1.59
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.34
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)-2-thiomorpholin-3-ylacetamide
CID 119941368
N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-thiomorpholin-3-ylacetamide
CID 66420895
N-[5-[(4-methylphenyl)methyl]-1,3,4-thiadiazol-2-yl]-2-thiomorpholin-3-ylacetamide
CID 119938862
N-(5-acetyl-1,3-thiazol-2-yl)-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119939508
2-thiomorpholin-3-yl-N-[4-(trifluoromethoxy)phenyl]acetamide;hydrochloride
CID 119934992
N-(4,5,6,7,8,9-hexahydrocycloocta[d][1,3]thiazol-2-yl)-2-thiomorpholin-3-ylacetamide
CID 119937540
2-thiomorpholin-3-yl-N-[2-(trifluoromethoxy)phenyl]acetamide
CID 66421203
N-(3,5-difluorophenyl)-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119935785
2-thiomorpholin-3-yl-N-[4-(trifluoromethylsulfanyl)phenyl]acetamide
CID 66420248
N-[2-chloro-5-(trifluoromethyl)phenyl]-2-thiomorpholin-3-ylacetamide
CID 66422398
N-(2,2-difluoro-3-hydroxypropyl)-2-thiomorpholin-3-ylacetamide
CID 106176913
2-thiomorpholin-3-yl-N-(3,4,5-trifluorophenyl)acetamide
CID 66420511

Frequently Asked Questions

What is the IUPAC name of 2-thiomorpholin-3-yl-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]acetamide?
The IUPAC name of 2-thiomorpholin-3-yl-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]acetamide (CID 119936088) is 2-thiomorpholin-3-yl-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]acetamide.
What is the SMILES notation for 2-thiomorpholin-3-yl-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]acetamide?
The canonical SMILES for 2-thiomorpholin-3-yl-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]acetamide is O=C(CC1CSCCN1)Nc1nnc(C(F)(F)F)s1.
What is the InChIKey of 2-thiomorpholin-3-yl-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]acetamide?
The InChIKey is VJLWHOMCSTZWMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F3N4OS2/c10-9(11,12)7-15-16-8(19-7)14-6(17)3-5-4-18-2-1-13-5/h5,13H,1-4H2,(H,14,16,17).
What are the key properties of 2-thiomorpholin-3-yl-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]acetamide?
2-thiomorpholin-3-yl-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]acetamide has a molecular weight of 312.34 g/mol, XLogP of 1.59, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-thiomorpholin-3-yl-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]acetamide is sourced from PubChem (CID 119936088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).