1-methylsulfonyl-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]cyclobutane-1-carboxamide

C9H10F3N3O3S2 — CID 138998662

IUPAC1-methylsulfonyl-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]cyclobutane-1-carboxamide
SMILESCS(=O)(=O)C1(C(=O)Nc2nnc(C(F)(F)F)s2)CCC1
InChIInChI=1S/C9H10F3N3O3S2/c1-20(17,18)8(3-2-4-8)5(16)13-7-15-14-6(19-7)9(10,11)12/h2-4H2,1H3,(H,13,15,16)
InChIKeyRQSZLRGZNDBSNA-UHFFFAOYSA-N
MW329.33 g/mol
LogP1.46
Rot. Bonds3

About 1-methylsulfonyl-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]cyclobutane-1-carboxamide

1-methylsulfonyl-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]cyclobutane-1-carboxamide (PubChem CID 138998662) has the molecular formula C9H10F3N3O3S2 and a molecular weight of 329.33 g/mol. Its IUPAC name is 1-methylsulfonyl-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]cyclobutane-1-carboxamide.

Molecular Properties

Compound Name1-methylsulfonyl-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]cyclobutane-1-carboxamide
PubChem CID138998662
Molecular FormulaC9H10F3N3O3S2
Molecular Weight329.33 g/mol
Exact Mass329.01
IUPAC Name1-methylsulfonyl-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]cyclobutane-1-carboxamide
SMILESCS(=O)(=O)C1(C(=O)Nc2nnc(C(F)(F)F)s2)CCC1
InChIInChI=1S/C9H10F3N3O3S2/c1-20(17,18)8(3-2-4-8)5(16)13-7-15-14-6(19-7)9(10,11)12/h2-4H2,1H3,(H,13,15,16)
InChIKeyRQSZLRGZNDBSNA-UHFFFAOYSA-N
XLogP1.46
TPSA89.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.33
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]adamantane-1-carboxamide
CID 38782443
1-[(1-hydroxycyclobutyl)methyl]-3-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]urea
CID 111437559
2,2-dimethyl-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]propanamide
CID 784732
N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]methanesulfonamide
CID 3151634
N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]pyrrolidine-1-carboxamide
CID 86987803
1-[[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]amino]methyl]cyclobutane-1-carboxylic acid
CID 114449455
4-(methylsulfonylmethyl)-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]benzamide
CID 38782405
2-amino-2-methyl-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]propanamide;hydrochloride
CID 119279554
[1-[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]amino]cyclobutyl]methanol
CID 114448761
2,2-dichloro-1-phenyl-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]cyclopropane-1-carboxamide
CID 139914678
2-amino-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]propanamide;hydrochloride
CID 119279568
1-amino-N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)cyclopropane-1-carboxamide;hydrochloride
CID 119705865

Frequently Asked Questions

What is the IUPAC name of 1-methylsulfonyl-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]cyclobutane-1-carboxamide?
The IUPAC name of 1-methylsulfonyl-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]cyclobutane-1-carboxamide (CID 138998662) is 1-methylsulfonyl-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]cyclobutane-1-carboxamide.
What is the SMILES notation for 1-methylsulfonyl-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]cyclobutane-1-carboxamide?
The canonical SMILES for 1-methylsulfonyl-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]cyclobutane-1-carboxamide is CS(=O)(=O)C1(C(=O)Nc2nnc(C(F)(F)F)s2)CCC1.
What is the InChIKey of 1-methylsulfonyl-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]cyclobutane-1-carboxamide?
The InChIKey is RQSZLRGZNDBSNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F3N3O3S2/c1-20(17,18)8(3-2-4-8)5(16)13-7-15-14-6(19-7)9(10,11)12/h2-4H2,1H3,(H,13,15,16).
What are the key properties of 1-methylsulfonyl-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]cyclobutane-1-carboxamide?
1-methylsulfonyl-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]cyclobutane-1-carboxamide has a molecular weight of 329.33 g/mol, XLogP of 1.46, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylsulfonyl-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]cyclobutane-1-carboxamide is sourced from PubChem (CID 138998662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).