N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-2-[(2R)-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]acetamide

C14H19N5O2S2 — CID 125171675

IUPACN-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-2-[(2R)-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]acetamide
SMILESCCSc1nnc(NC(=O)CN2CCC[C@@H]2c2cc(C)no2)s1
InChIInChI=1S/C14H19N5O2S2/c1-3-22-14-17-16-13(23-14)15-12(20)8-19-6-4-5-10(19)11-7-9(2)18-21-11/h7,10H,3-6,8H2,1-2H3,(H,15,16,20)/t10-/m1/s1
InChIKeyOBPUPSXKLRAJGH-SNVBAGLBSA-N
MW353.47 g/mol
LogP2.72
Rot. Bonds6

About N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-2-[(2R)-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]acetamide

N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-2-[(2R)-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]acetamide (PubChem CID 125171675) has the molecular formula C14H19N5O2S2 and a molecular weight of 353.47 g/mol. Its IUPAC name is N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-2-[(2R)-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]acetamide.

Molecular Properties

Compound NameN-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-2-[(2R)-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]acetamide
PubChem CID125171675
Molecular FormulaC14H19N5O2S2
Molecular Weight353.47 g/mol
Exact Mass353.10
IUPAC NameN-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-2-[(2R)-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]acetamide
SMILESCCSc1nnc(NC(=O)CN2CCC[C@@H]2c2cc(C)no2)s1
InChIInChI=1S/C14H19N5O2S2/c1-3-22-14-17-16-13(23-14)15-12(20)8-19-6-4-5-10(19)11-7-9(2)18-21-11/h7,10H,3-6,8H2,1-2H3,(H,15,16,20)/t10-/m1/s1
InChIKeyOBPUPSXKLRAJGH-SNVBAGLBSA-N
XLogP2.72
TPSA84.15 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.47
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-acyl-2-amino-5-mercapto-1,3,4-_thiadiazole', 'substructure': 'N/A'}

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Related Compounds

N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-2-[2-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]acetamide
CID 91844203
N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-[(2R)-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]propanamide
CID 124756586
N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-2-[2-(1,3-thiazol-2-yl)piperidin-1-yl]acetamide
CID 91836265
1-[2-[(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethyl]piperidine-3-carboxamide
CID 91831492
(3R)-1-[2-[(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethyl]piperidine-3-carboxamide
CID 124750108
(2R)-2-(3-methyl-1,2-oxazol-5-yl)-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)pyrrolidine-1-carboxamide
CID 94031787
2-[(2S)-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]-N-[[(3R)-oxolan-3-yl]methyl]acetamide
CID 98857976
2-[(2R)-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]-1-morpholin-4-ylethanone
CID 94415366
1-[2-[2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]acetyl]piperidine-4-carboxamide
CID 47053801
N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-2-[(3S)-3-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]acetamide
CID 124756426
3-methyl-5-[1-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]pyrrolidin-2-yl]-1,2-oxazole
CID 118788668
1-[(4aS,8aS)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-2-[(2S)-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]ethanone
CID 100837014

Frequently Asked Questions

What is the IUPAC name of N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-2-[(2R)-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]acetamide?
The IUPAC name of N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-2-[(2R)-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]acetamide (CID 125171675) is N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-2-[(2R)-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]acetamide.
What is the SMILES notation for N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-2-[(2R)-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]acetamide?
The canonical SMILES for N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-2-[(2R)-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]acetamide is CCSc1nnc(NC(=O)CN2CCC[C@@H]2c2cc(C)no2)s1.
What is the InChIKey of N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-2-[(2R)-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]acetamide?
The InChIKey is OBPUPSXKLRAJGH-SNVBAGLBSA-N. The full InChI is InChI=1S/C14H19N5O2S2/c1-3-22-14-17-16-13(23-14)15-12(20)8-19-6-4-5-10(19)11-7-9(2)18-21-11/h7,10H,3-6,8H2,1-2H3,(H,15,16,20)/t10-/m1/s1.
What are the key properties of N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-2-[(2R)-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]acetamide?
N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-2-[(2R)-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]acetamide has a molecular weight of 353.47 g/mol, XLogP of 2.72, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-2-[(2R)-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]acetamide is sourced from PubChem (CID 125171675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).