(2R)-N-[2-[(3-cyclohexyl-1,2,4-thiadiazol-5-yl)-methylamino]ethyl]-N-methyl-5-oxopyrrolidine-2-carboxamide

C17H27N5O2S — CID 138007341

IUPAC(2R)-N-[2-[(3-cyclohexyl-1,2,4-thiadiazol-5-yl)-methylamino]ethyl]-N-methyl-5-oxopyrrolidine-2-carboxamide
SMILESCN(CCN(C)c1nc(C2CCCCC2)ns1)C(=O)[C@H]1CCC(=O)N1
InChIInChI=1S/C17H27N5O2S/c1-21(16(24)13-8-9-14(23)18-13)10-11-22(2)17-19-15(20-25-17)12-6-4-3-5-7-12/h12-13H,3-11H2,1-2H3,(H,18,23)/t13-/m1/s1
InChIKeySNUSXRQUKYJQAU-CYBMUJFWSA-N
MW365.50 g/mol
LogP1.76
Rot. Bonds6

About (2R)-N-[2-[(3-cyclohexyl-1,2,4-thiadiazol-5-yl)-methylamino]ethyl]-N-methyl-5-oxopyrrolidine-2-carboxamide

(2R)-N-[2-[(3-cyclohexyl-1,2,4-thiadiazol-5-yl)-methylamino]ethyl]-N-methyl-5-oxopyrrolidine-2-carboxamide (PubChem CID 138007341) has the molecular formula C17H27N5O2S and a molecular weight of 365.50 g/mol. Its IUPAC name is (2R)-N-[2-[(3-cyclohexyl-1,2,4-thiadiazol-5-yl)-methylamino]ethyl]-N-methyl-5-oxopyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2R)-N-[2-[(3-cyclohexyl-1,2,4-thiadiazol-5-yl)-methylamino]ethyl]-N-methyl-5-oxopyrrolidine-2-carboxamide
PubChem CID138007341
Molecular FormulaC17H27N5O2S
Molecular Weight365.50 g/mol
Exact Mass365.19
IUPAC Name(2R)-N-[2-[(3-cyclohexyl-1,2,4-thiadiazol-5-yl)-methylamino]ethyl]-N-methyl-5-oxopyrrolidine-2-carboxamide
SMILESCN(CCN(C)c1nc(C2CCCCC2)ns1)C(=O)[C@H]1CCC(=O)N1
InChIInChI=1S/C17H27N5O2S/c1-21(16(24)13-8-9-14(23)18-13)10-11-22(2)17-19-15(20-25-17)12-6-4-3-5-7-12/h12-13H,3-11H2,1-2H3,(H,18,23)/t13-/m1/s1
InChIKeySNUSXRQUKYJQAU-CYBMUJFWSA-N
XLogP1.76
TPSA78.43 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.50
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2R)-N-[2-[(3-cyclohexyl-1,2,4-thiadiazol-5-yl)-methylamino]ethyl]-N-methyl-5-oxopyrrolidine-2-carboxamide?
The IUPAC name of (2R)-N-[2-[(3-cyclohexyl-1,2,4-thiadiazol-5-yl)-methylamino]ethyl]-N-methyl-5-oxopyrrolidine-2-carboxamide (CID 138007341) is (2R)-N-[2-[(3-cyclohexyl-1,2,4-thiadiazol-5-yl)-methylamino]ethyl]-N-methyl-5-oxopyrrolidine-2-carboxamide.
What is the SMILES notation for (2R)-N-[2-[(3-cyclohexyl-1,2,4-thiadiazol-5-yl)-methylamino]ethyl]-N-methyl-5-oxopyrrolidine-2-carboxamide?
The canonical SMILES for (2R)-N-[2-[(3-cyclohexyl-1,2,4-thiadiazol-5-yl)-methylamino]ethyl]-N-methyl-5-oxopyrrolidine-2-carboxamide is CN(CCN(C)c1nc(C2CCCCC2)ns1)C(=O)[C@H]1CCC(=O)N1.
What is the InChIKey of (2R)-N-[2-[(3-cyclohexyl-1,2,4-thiadiazol-5-yl)-methylamino]ethyl]-N-methyl-5-oxopyrrolidine-2-carboxamide?
The InChIKey is SNUSXRQUKYJQAU-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H27N5O2S/c1-21(16(24)13-8-9-14(23)18-13)10-11-22(2)17-19-15(20-25-17)12-6-4-3-5-7-12/h12-13H,3-11H2,1-2H3,(H,18,23)/t13-/m1/s1.
What are the key properties of (2R)-N-[2-[(3-cyclohexyl-1,2,4-thiadiazol-5-yl)-methylamino]ethyl]-N-methyl-5-oxopyrrolidine-2-carboxamide?
(2R)-N-[2-[(3-cyclohexyl-1,2,4-thiadiazol-5-yl)-methylamino]ethyl]-N-methyl-5-oxopyrrolidine-2-carboxamide has a molecular weight of 365.50 g/mol, XLogP of 1.76, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[2-[(3-cyclohexyl-1,2,4-thiadiazol-5-yl)-methylamino]ethyl]-N-methyl-5-oxopyrrolidine-2-carboxamide is sourced from PubChem (CID 138007341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).