(3R,4S)-N-methyl-1,1-dioxo-N-propan-2-yl-4-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]thiolane-3-carboxamide

C12H17F3N4O3S2 — CID 166432980

IUPAC(3R,4S)-N-methyl-1,1-dioxo-N-propan-2-yl-4-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]thiolane-3-carboxamide
SMILESCC(C)N(C)C(=O)[C@@H]1CS(=O)(=O)C[C@H]1Nc1nc(C(F)(F)F)ns1
InChIInChI=1S/C12H17F3N4O3S2/c1-6(2)19(3)9(20)7-4-24(21,22)5-8(7)16-11-17-10(18-23-11)12(13,14)15/h6-8H,4-5H2,1-3H3,(H,16,17,18)/t7-,8-/m1/s1
InChIKeyXQGFXKQMPWLBRL-HTQZYQBOSA-N
MW386.42 g/mol
LogP1.25
Rot. Bonds4

About (3R,4S)-N-methyl-1,1-dioxo-N-propan-2-yl-4-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]thiolane-3-carboxamide

(3R,4S)-N-methyl-1,1-dioxo-N-propan-2-yl-4-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]thiolane-3-carboxamide (PubChem CID 166432980) has the molecular formula C12H17F3N4O3S2 and a molecular weight of 386.42 g/mol. Its IUPAC name is (3R,4S)-N-methyl-1,1-dioxo-N-propan-2-yl-4-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]thiolane-3-carboxamide.

Molecular Properties

Compound Name(3R,4S)-N-methyl-1,1-dioxo-N-propan-2-yl-4-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]thiolane-3-carboxamide
PubChem CID166432980
Molecular FormulaC12H17F3N4O3S2
Molecular Weight386.42 g/mol
Exact Mass386.07
IUPAC Name(3R,4S)-N-methyl-1,1-dioxo-N-propan-2-yl-4-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]thiolane-3-carboxamide
SMILESCC(C)N(C)C(=O)[C@@H]1CS(=O)(=O)C[C@H]1Nc1nc(C(F)(F)F)ns1
InChIInChI=1S/C12H17F3N4O3S2/c1-6(2)19(3)9(20)7-4-24(21,22)5-8(7)16-11-17-10(18-23-11)12(13,14)15/h6-8H,4-5H2,1-3H3,(H,16,17,18)/t7-,8-/m1/s1
InChIKeyXQGFXKQMPWLBRL-HTQZYQBOSA-N
XLogP1.25
TPSA92.26 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.42
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze (3R,4S)-N-methyl-1,1-dioxo-N-propan-2-yl-4-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]thiolane-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of (3R,4S)-N-methyl-1,1-dioxo-N-propan-2-yl-4-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]thiolane-3-carboxamide?
The IUPAC name of (3R,4S)-N-methyl-1,1-dioxo-N-propan-2-yl-4-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]thiolane-3-carboxamide (CID 166432980) is (3R,4S)-N-methyl-1,1-dioxo-N-propan-2-yl-4-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]thiolane-3-carboxamide.
What is the SMILES notation for (3R,4S)-N-methyl-1,1-dioxo-N-propan-2-yl-4-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]thiolane-3-carboxamide?
The canonical SMILES for (3R,4S)-N-methyl-1,1-dioxo-N-propan-2-yl-4-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]thiolane-3-carboxamide is CC(C)N(C)C(=O)[C@@H]1CS(=O)(=O)C[C@H]1Nc1nc(C(F)(F)F)ns1.
What is the InChIKey of (3R,4S)-N-methyl-1,1-dioxo-N-propan-2-yl-4-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]thiolane-3-carboxamide?
The InChIKey is XQGFXKQMPWLBRL-HTQZYQBOSA-N. The full InChI is InChI=1S/C12H17F3N4O3S2/c1-6(2)19(3)9(20)7-4-24(21,22)5-8(7)16-11-17-10(18-23-11)12(13,14)15/h6-8H,4-5H2,1-3H3,(H,16,17,18)/t7-,8-/m1/s1.
What are the key properties of (3R,4S)-N-methyl-1,1-dioxo-N-propan-2-yl-4-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]thiolane-3-carboxamide?
(3R,4S)-N-methyl-1,1-dioxo-N-propan-2-yl-4-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]thiolane-3-carboxamide has a molecular weight of 386.42 g/mol, XLogP of 1.25, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-N-methyl-1,1-dioxo-N-propan-2-yl-4-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]thiolane-3-carboxamide is sourced from PubChem (CID 166432980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).