N-[5-(cyclopentylmethylsulfanyl)-1,3,4-thiadiazol-2-yl]-4-ethylthiadiazole-5-carboxamide

C13H17N5OS3 — CID 171343250

IUPACN-[5-(cyclopentylmethylsulfanyl)-1,3,4-thiadiazol-2-yl]-4-ethylthiadiazole-5-carboxamide
SMILESCCc1nnsc1C(=O)Nc1nnc(SCC2CCCC2)s1
InChIInChI=1S/C13H17N5OS3/c1-2-9-10(22-18-15-9)11(19)14-12-16-17-13(21-12)20-7-8-5-3-4-6-8/h8H,2-7H2,1H3,(H,14,16,19)
InChIKeyFSKVBJQEJOORSI-UHFFFAOYSA-N
MW355.51 g/mol
LogP3.49
Rot. Bonds6

About N-[5-(cyclopentylmethylsulfanyl)-1,3,4-thiadiazol-2-yl]-4-ethylthiadiazole-5-carboxamide

N-[5-(cyclopentylmethylsulfanyl)-1,3,4-thiadiazol-2-yl]-4-ethylthiadiazole-5-carboxamide (PubChem CID 171343250) has the molecular formula C13H17N5OS3 and a molecular weight of 355.51 g/mol. Its IUPAC name is N-[5-(cyclopentylmethylsulfanyl)-1,3,4-thiadiazol-2-yl]-4-ethylthiadiazole-5-carboxamide.

Molecular Properties

Compound NameN-[5-(cyclopentylmethylsulfanyl)-1,3,4-thiadiazol-2-yl]-4-ethylthiadiazole-5-carboxamide
PubChem CID171343250
Molecular FormulaC13H17N5OS3
Molecular Weight355.51 g/mol
Exact Mass355.06
IUPAC NameN-[5-(cyclopentylmethylsulfanyl)-1,3,4-thiadiazol-2-yl]-4-ethylthiadiazole-5-carboxamide
SMILESCCc1nnsc1C(=O)Nc1nnc(SCC2CCCC2)s1
InChIInChI=1S/C13H17N5OS3/c1-2-9-10(22-18-15-9)11(19)14-12-16-17-13(21-12)20-7-8-5-3-4-6-8/h8H,2-7H2,1H3,(H,14,16,19)
InChIKeyFSKVBJQEJOORSI-UHFFFAOYSA-N
XLogP3.49
TPSA80.66 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.51
LogP ≤ 53.49
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

2-[[5-[(4-ethylthiadiazole-5-carbonyl)amino]-1,3,4-thiadiazol-2-yl]sulfanyl]acetic acid
CID 65205894
4-ethyl-N-[5-[(4-fluorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]thiadiazole-5-carboxamide
CID 30582501
4-ethyl-N-[5-(pyridin-2-ylmethylsulfanyl)-1,3,4-thiadiazol-2-yl]thiadiazole-5-carboxamide
CID 171355430
N-cyclopentyl-4-ethylthiadiazole-5-carboxamide
CID 51204913
2-cyclopentyl-1-(4-ethylthiadiazol-5-yl)ethanone
CID 105092243
N-(5-butylsulfanyl-1,3,4-thiadiazol-2-yl)-4-methylthiadiazole-5-carboxamide
CID 121029144
2-cyclopropyl-2-[(4-ethylthiadiazole-5-carbonyl)amino]propanoic acid
CID 65205737
N-[(1R)-1-cyclopropylethyl]-4-ethylthiadiazole-5-carboxamide
CID 30796558
4-ethyl-N-[1-(hydroxymethyl)cyclobutyl]thiadiazole-5-carboxamide
CID 115878220
3-chloro-N-[5-(cyclopropylmethylsulfanyl)-1,3,4-thiadiazol-2-yl]benzamide
CID 42805599
4-ethyl-N-[4-(hydroxymethyl)cyclohexyl]thiadiazole-5-carboxamide
CID 113384238
4-ethyl-N-(5-pyrrolidin-2-yl-1,3,4-oxadiazol-2-yl)thiadiazole-5-carboxamide
CID 102703524

Frequently Asked Questions

What is the IUPAC name of N-[5-(cyclopentylmethylsulfanyl)-1,3,4-thiadiazol-2-yl]-4-ethylthiadiazole-5-carboxamide?
The IUPAC name of N-[5-(cyclopentylmethylsulfanyl)-1,3,4-thiadiazol-2-yl]-4-ethylthiadiazole-5-carboxamide (CID 171343250) is N-[5-(cyclopentylmethylsulfanyl)-1,3,4-thiadiazol-2-yl]-4-ethylthiadiazole-5-carboxamide.
What is the SMILES notation for N-[5-(cyclopentylmethylsulfanyl)-1,3,4-thiadiazol-2-yl]-4-ethylthiadiazole-5-carboxamide?
The canonical SMILES for N-[5-(cyclopentylmethylsulfanyl)-1,3,4-thiadiazol-2-yl]-4-ethylthiadiazole-5-carboxamide is CCc1nnsc1C(=O)Nc1nnc(SCC2CCCC2)s1.
What is the InChIKey of N-[5-(cyclopentylmethylsulfanyl)-1,3,4-thiadiazol-2-yl]-4-ethylthiadiazole-5-carboxamide?
The InChIKey is FSKVBJQEJOORSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5OS3/c1-2-9-10(22-18-15-9)11(19)14-12-16-17-13(21-12)20-7-8-5-3-4-6-8/h8H,2-7H2,1H3,(H,14,16,19).
What are the key properties of N-[5-(cyclopentylmethylsulfanyl)-1,3,4-thiadiazol-2-yl]-4-ethylthiadiazole-5-carboxamide?
N-[5-(cyclopentylmethylsulfanyl)-1,3,4-thiadiazol-2-yl]-4-ethylthiadiazole-5-carboxamide has a molecular weight of 355.51 g/mol, XLogP of 3.49, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(cyclopentylmethylsulfanyl)-1,3,4-thiadiazol-2-yl]-4-ethylthiadiazole-5-carboxamide is sourced from PubChem (CID 171343250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).