N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-[(2S)-2-(trifluoromethyl)morpholin-4-yl]propanamide

C13H17F3N4O2S — CID 95402466

IUPACN-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-[(2S)-2-(trifluoromethyl)morpholin-4-yl]propanamide
SMILESO=C(CCN1CCO[C@H](C(F)(F)F)C1)Nc1nnc(C2CC2)s1
InChIInChI=1S/C13H17F3N4O2S/c14-13(15,16)9-7-20(5-6-22-9)4-3-10(21)17-12-19-18-11(23-12)8-1-2-8/h8-9H,1-7H2,(H,17,19,21)/t9-/m0/s1
InChIKeyYXQHHWJFZDVNTJ-VIFPVBQESA-N
MW350.37 g/mol
LogP2.01
Rot. Bonds5

About N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-[(2S)-2-(trifluoromethyl)morpholin-4-yl]propanamide

N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-[(2S)-2-(trifluoromethyl)morpholin-4-yl]propanamide (PubChem CID 95402466) has the molecular formula C13H17F3N4O2S and a molecular weight of 350.37 g/mol. Its IUPAC name is N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-[(2S)-2-(trifluoromethyl)morpholin-4-yl]propanamide.

Molecular Properties

Compound NameN-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-[(2S)-2-(trifluoromethyl)morpholin-4-yl]propanamide
PubChem CID95402466
Molecular FormulaC13H17F3N4O2S
Molecular Weight350.37 g/mol
Exact Mass350.10
IUPAC NameN-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-[(2S)-2-(trifluoromethyl)morpholin-4-yl]propanamide
SMILESO=C(CCN1CCO[C@H](C(F)(F)F)C1)Nc1nnc(C2CC2)s1
InChIInChI=1S/C13H17F3N4O2S/c14-13(15,16)9-7-20(5-6-22-9)4-3-10(21)17-12-19-18-11(23-12)8-1-2-8/h8-9H,1-7H2,(H,17,19,21)/t9-/m0/s1
InChIKeyYXQHHWJFZDVNTJ-VIFPVBQESA-N
XLogP2.01
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.37
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-[(2S)-2-(trifluoromethyl)morpholin-4-yl]propanamide?
The IUPAC name of N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-[(2S)-2-(trifluoromethyl)morpholin-4-yl]propanamide (CID 95402466) is N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-[(2S)-2-(trifluoromethyl)morpholin-4-yl]propanamide.
What is the SMILES notation for N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-[(2S)-2-(trifluoromethyl)morpholin-4-yl]propanamide?
The canonical SMILES for N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-[(2S)-2-(trifluoromethyl)morpholin-4-yl]propanamide is O=C(CCN1CCO[C@H](C(F)(F)F)C1)Nc1nnc(C2CC2)s1.
What is the InChIKey of N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-[(2S)-2-(trifluoromethyl)morpholin-4-yl]propanamide?
The InChIKey is YXQHHWJFZDVNTJ-VIFPVBQESA-N. The full InChI is InChI=1S/C13H17F3N4O2S/c14-13(15,16)9-7-20(5-6-22-9)4-3-10(21)17-12-19-18-11(23-12)8-1-2-8/h8-9H,1-7H2,(H,17,19,21)/t9-/m0/s1.
What are the key properties of N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-[(2S)-2-(trifluoromethyl)morpholin-4-yl]propanamide?
N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-[(2S)-2-(trifluoromethyl)morpholin-4-yl]propanamide has a molecular weight of 350.37 g/mol, XLogP of 2.01, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-[(2S)-2-(trifluoromethyl)morpholin-4-yl]propanamide is sourced from PubChem (CID 95402466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).