(2S)-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]pyrrolidine-1-carboxamide

C17H27N5O2S — CID 52502776

IUPAC(2S)-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]pyrrolidine-1-carboxamide
SMILESC[C@@H]1CN(C[C@@H]2CCCN2C(=O)Nc2nnc(C3CC3)s2)C[C@@H](C)O1
InChIInChI=1S/C17H27N5O2S/c1-11-8-21(9-12(2)24-11)10-14-4-3-7-22(14)17(23)18-16-20-19-15(25-16)13-5-6-13/h11-14H,3-10H2,1-2H3,(H,18,20,23)/t11-,12-,14+/m1/s1
InChIKeyJHBOGXSHYUFXOO-BZPMIXESSA-N
MW365.50 g/mol
LogP2.52
Rot. Bonds4

About (2S)-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]pyrrolidine-1-carboxamide

(2S)-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]pyrrolidine-1-carboxamide (PubChem CID 52502776) has the molecular formula C17H27N5O2S and a molecular weight of 365.50 g/mol. Its IUPAC name is (2S)-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name(2S)-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]pyrrolidine-1-carboxamide
PubChem CID52502776
Molecular FormulaC17H27N5O2S
Molecular Weight365.50 g/mol
Exact Mass365.19
IUPAC Name(2S)-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]pyrrolidine-1-carboxamide
SMILESC[C@@H]1CN(C[C@@H]2CCCN2C(=O)Nc2nnc(C3CC3)s2)C[C@@H](C)O1
InChIInChI=1S/C17H27N5O2S/c1-11-8-21(9-12(2)24-11)10-14-4-3-7-22(14)17(23)18-16-20-19-15(25-16)13-5-6-13/h11-14H,3-10H2,1-2H3,(H,18,20,23)/t11-,12-,14+/m1/s1
InChIKeyJHBOGXSHYUFXOO-BZPMIXESSA-N
XLogP2.52
TPSA70.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.50
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2S)-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]pyrrolidine-1-carboxamide?
The IUPAC name of (2S)-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]pyrrolidine-1-carboxamide (CID 52502776) is (2S)-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]pyrrolidine-1-carboxamide.
What is the SMILES notation for (2S)-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]pyrrolidine-1-carboxamide?
The canonical SMILES for (2S)-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]pyrrolidine-1-carboxamide is C[C@@H]1CN(C[C@@H]2CCCN2C(=O)Nc2nnc(C3CC3)s2)C[C@@H](C)O1.
What is the InChIKey of (2S)-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]pyrrolidine-1-carboxamide?
The InChIKey is JHBOGXSHYUFXOO-BZPMIXESSA-N. The full InChI is InChI=1S/C17H27N5O2S/c1-11-8-21(9-12(2)24-11)10-14-4-3-7-22(14)17(23)18-16-20-19-15(25-16)13-5-6-13/h11-14H,3-10H2,1-2H3,(H,18,20,23)/t11-,12-,14+/m1/s1.
What are the key properties of (2S)-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]pyrrolidine-1-carboxamide?
(2S)-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]pyrrolidine-1-carboxamide has a molecular weight of 365.50 g/mol, XLogP of 2.52, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]pyrrolidine-1-carboxamide is sourced from PubChem (CID 52502776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).