(2R)-2-[(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methyl-methylamino]-N-(1,3,4-thiadiazol-2-yl)propanamide

C14H20N6O2S — CID 124844642

IUPAC(2R)-2-[(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methyl-methylamino]-N-(1,3,4-thiadiazol-2-yl)propanamide
SMILESC[C@H](C(=O)Nc1nncs1)N(C)Cc1noc(C2CCCC2)n1
InChIInChI=1S/C14H20N6O2S/c1-9(12(21)17-14-18-15-8-23-14)20(2)7-11-16-13(22-19-11)10-5-3-4-6-10/h8-10H,3-7H2,1-2H3,(H,17,18,21)/t9-/m1/s1
InChIKeyGOFGBSYWLUBDNM-SECBINFHSA-N
MW336.42 g/mol
LogP2.04
Rot. Bonds6

About (2R)-2-[(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methyl-methylamino]-N-(1,3,4-thiadiazol-2-yl)propanamide

(2R)-2-[(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methyl-methylamino]-N-(1,3,4-thiadiazol-2-yl)propanamide (PubChem CID 124844642) has the molecular formula C14H20N6O2S and a molecular weight of 336.42 g/mol. Its IUPAC name is (2R)-2-[(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methyl-methylamino]-N-(1,3,4-thiadiazol-2-yl)propanamide.

Molecular Properties

Compound Name(2R)-2-[(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methyl-methylamino]-N-(1,3,4-thiadiazol-2-yl)propanamide
PubChem CID124844642
Molecular FormulaC14H20N6O2S
Molecular Weight336.42 g/mol
Exact Mass336.14
IUPAC Name(2R)-2-[(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methyl-methylamino]-N-(1,3,4-thiadiazol-2-yl)propanamide
SMILESC[C@H](C(=O)Nc1nncs1)N(C)Cc1noc(C2CCCC2)n1
InChIInChI=1S/C14H20N6O2S/c1-9(12(21)17-14-18-15-8-23-14)20(2)7-11-16-13(22-19-11)10-5-3-4-6-10/h8-10H,3-7H2,1-2H3,(H,17,18,21)/t9-/m1/s1
InChIKeyGOFGBSYWLUBDNM-SECBINFHSA-N
XLogP2.04
TPSA97.04 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.42
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

2-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl-methylamino]propanoic acid
CID 62638502
(2S)-N-[(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-1-(4-methyl-2-pyridinyl)propan-2-amine
CID 124754653
(2S)-N-cyclopentyl-2-[methyl-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]amino]propanamide
CID 95147928
1-[(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methyl]-1-methyl-3-[4-(4-methyl-1,2,4-triazol-3-yl)phenyl]urea
CID 72850511
5-cyclopropyl-3-[[methyl(propan-2-ylsulfamoyl)amino]methyl]-1,2,4-oxadiazole
CID 136548145
2-[(2R)-2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-N-(1,3,4-thiadiazol-2-yl)acetamide
CID 97018609
2-[2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-N-(1,3,4-thiadiazol-2-yl)acetamide
CID 71872681
N-[(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methyl]propan-2-amine
CID 62343969
2-[methyl(3-phenylprop-2-enyl)amino]-N-(1,3,4-thiadiazol-2-yl)propanamide
CID 171134904
1-[(5-cyclobutyl-1,2,4-oxadiazol-3-yl)methyl]-1-ethyl-3-[(2S)-2-methylbutyl]urea
CID 126441521
1-[(5-cyclobutyl-1,2,4-oxadiazol-3-yl)methyl]-1-ethyl-3-(2-methylbutyl)urea
CID 119068258
1-[(5-cyclobutyl-1,2,4-oxadiazol-3-yl)methyl]-1-methyl-3-(3-phenyl-1,2,4-thiadiazol-5-yl)urea
CID 46984831

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methyl-methylamino]-N-(1,3,4-thiadiazol-2-yl)propanamide?
The IUPAC name of (2R)-2-[(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methyl-methylamino]-N-(1,3,4-thiadiazol-2-yl)propanamide (CID 124844642) is (2R)-2-[(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methyl-methylamino]-N-(1,3,4-thiadiazol-2-yl)propanamide.
What is the SMILES notation for (2R)-2-[(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methyl-methylamino]-N-(1,3,4-thiadiazol-2-yl)propanamide?
The canonical SMILES for (2R)-2-[(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methyl-methylamino]-N-(1,3,4-thiadiazol-2-yl)propanamide is C[C@H](C(=O)Nc1nncs1)N(C)Cc1noc(C2CCCC2)n1.
What is the InChIKey of (2R)-2-[(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methyl-methylamino]-N-(1,3,4-thiadiazol-2-yl)propanamide?
The InChIKey is GOFGBSYWLUBDNM-SECBINFHSA-N. The full InChI is InChI=1S/C14H20N6O2S/c1-9(12(21)17-14-18-15-8-23-14)20(2)7-11-16-13(22-19-11)10-5-3-4-6-10/h8-10H,3-7H2,1-2H3,(H,17,18,21)/t9-/m1/s1.
What are the key properties of (2R)-2-[(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methyl-methylamino]-N-(1,3,4-thiadiazol-2-yl)propanamide?
(2R)-2-[(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methyl-methylamino]-N-(1,3,4-thiadiazol-2-yl)propanamide has a molecular weight of 336.42 g/mol, XLogP of 2.04, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methyl-methylamino]-N-(1,3,4-thiadiazol-2-yl)propanamide is sourced from PubChem (CID 124844642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).