(2R)-N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide

C14H16N4O2S3 — CID 9441448

IUPAC(2R)-N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide
SMILESCCSc1nnc(NC(=O)[C@H]2CCCN2C(=O)c2cccs2)s1
InChIInChI=1S/C14H16N4O2S3/c1-2-21-14-17-16-13(23-14)15-11(19)9-5-3-7-18(9)12(20)10-6-4-8-22-10/h4,6,8-9H,2-3,5,7H2,1H3,(H,15,16,19)/t9-/m1/s1
InChIKeyJWGNSMKJDNLCHB-SECBINFHSA-N
MW368.51 g/mol
LogP2.95
Rot. Bonds5

About (2R)-N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide

(2R)-N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide (PubChem CID 9441448) has the molecular formula C14H16N4O2S3 and a molecular weight of 368.51 g/mol. Its IUPAC name is (2R)-N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2R)-N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide
PubChem CID9441448
Molecular FormulaC14H16N4O2S3
Molecular Weight368.51 g/mol
Exact Mass368.04
IUPAC Name(2R)-N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide
SMILESCCSc1nnc(NC(=O)[C@H]2CCCN2C(=O)c2cccs2)s1
InChIInChI=1S/C14H16N4O2S3/c1-2-21-14-17-16-13(23-14)15-11(19)9-5-3-7-18(9)12(20)10-6-4-8-22-10/h4,6,8-9H,2-3,5,7H2,1H3,(H,15,16,19)/t9-/m1/s1
InChIKeyJWGNSMKJDNLCHB-SECBINFHSA-N
XLogP2.95
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.51
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide
CID 42757770
N-(1,3-thiazol-2-yl)-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide
CID 4883035
(2R)-1-(4-chlorophenyl)sulfonyl-N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)pyrrolidine-2-carboxamide
CID 100529228
N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
CID 133231097
N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-4-oxo-4-thiophen-2-ylbutanamide
CID 2397239
N-[4-(propanoylamino)phenyl]-1-(thiophene-2-carbonyl)piperidine-2-carboxamide
CID 78887255
N-benzo[e][1,3]benzothiazol-2-yl-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide
CID 112763498
(2R)-N-methylsulfonyl-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide
CID 94188023
(2S)-N-[5-methyl-4-(4-propylphenyl)-1,3-thiazol-2-yl]-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide
CID 2475120
N-(4-acetamidophenyl)-1-(thiophene-2-carbonyl)piperidine-2-carboxamide
CID 18225954
2-methyl-3-[4-[[1-(thiophene-2-carbonyl)pyrrolidine-2-carbonyl]amino]phenyl]propanoic acid
CID 120540851
ethyl N-[[(2S)-1-(thiophene-2-carbonyl)pyrrolidine-2-carbonyl]amino]carbamate
CID 55929773

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide?
The IUPAC name of (2R)-N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide (CID 9441448) is (2R)-N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for (2R)-N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide?
The canonical SMILES for (2R)-N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide is CCSc1nnc(NC(=O)[C@H]2CCCN2C(=O)c2cccs2)s1.
What is the InChIKey of (2R)-N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide?
The InChIKey is JWGNSMKJDNLCHB-SECBINFHSA-N. The full InChI is InChI=1S/C14H16N4O2S3/c1-2-21-14-17-16-13(23-14)15-11(19)9-5-3-7-18(9)12(20)10-6-4-8-22-10/h4,6,8-9H,2-3,5,7H2,1H3,(H,15,16,19)/t9-/m1/s1.
What are the key properties of (2R)-N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide?
(2R)-N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide has a molecular weight of 368.51 g/mol, XLogP of 2.95, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 9441448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).