[(1R)-1-[5-[2-[(3-carbamoyl-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)amino]-2-oxoethyl]sulfanyl-1,3,4-oxadiazol-2-yl]propyl]-dimethylazanium

C17H24N5O3S2+ — CID 2161344

IUPAC[(1R)-1-[5-[2-[(3-carbamoyl-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)amino]-2-oxoethyl]sulfanyl-1,3,4-oxadiazol-2-yl]propyl]-dimethylazanium
SMILESCC[C@H](c1nnc(SCC(=O)Nc2sc3c(c2C(N)=O)CCC3)o1)[NH+](C)C
InChIInChI=1S/C17H23N5O3S2/c1-4-10(22(2)3)15-20-21-17(25-15)26-8-12(23)19-16-13(14(18)24)9-6-5-7-11(9)27-16/h10H,4-8H2,1-3H3,(H2,18,24)(H,19,23)/p+1/t10-/m1/s1
InChIKeyPNAQEGTXHKUCQG-SNVBAGLBSA-O
MW410.55 g/mol
LogP1.05
Rot. Bonds8

About [(1R)-1-[5-[2-[(3-carbamoyl-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)amino]-2-oxoethyl]sulfanyl-1,3,4-oxadiazol-2-yl]propyl]-dimethylazanium

[(1R)-1-[5-[2-[(3-carbamoyl-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)amino]-2-oxoethyl]sulfanyl-1,3,4-oxadiazol-2-yl]propyl]-dimethylazanium (PubChem CID 2161344) has the molecular formula C17H24N5O3S2+ and a molecular weight of 410.55 g/mol. Its IUPAC name is [(1R)-1-[5-[2-[(3-carbamoyl-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)amino]-2-oxoethyl]sulfanyl-1,3,4-oxadiazol-2-yl]propyl]-dimethylazanium.

Molecular Properties

Compound Name[(1R)-1-[5-[2-[(3-carbamoyl-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)amino]-2-oxoethyl]sulfanyl-1,3,4-oxadiazol-2-yl]propyl]-dimethylazanium
PubChem CID2161344
Molecular FormulaC17H24N5O3S2+
Molecular Weight410.55 g/mol
Exact Mass410.13
IUPAC Name[(1R)-1-[5-[2-[(3-carbamoyl-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)amino]-2-oxoethyl]sulfanyl-1,3,4-oxadiazol-2-yl]propyl]-dimethylazanium
SMILESCC[C@H](c1nnc(SCC(=O)Nc2sc3c(c2C(N)=O)CCC3)o1)[NH+](C)C
InChIInChI=1S/C17H23N5O3S2/c1-4-10(22(2)3)15-20-21-17(25-15)26-8-12(23)19-16-13(14(18)24)9-6-5-7-11(9)27-16/h10H,4-8H2,1-3H3,(H2,18,24)(H,19,23)/p+1/t10-/m1/s1
InChIKeyPNAQEGTXHKUCQG-SNVBAGLBSA-O
XLogP1.05
TPSA115.55 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.55
LogP ≤ 51.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze [(1R)-1-[5-[2-[(3-carbamoyl-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)amino]-2-oxoethyl]sulfanyl-1,3,4-oxadiazol-2-yl]propyl]-dimethylazanium with MolForge

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Related Compounds

2-[[2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide
CID 7820427
2-[[2-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide
CID 18097490
2-[[2-[(4-amino-5-methyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide
CID 7631131
2-[[2-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 78772086
S-[2-[(3-carbamoyl-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)amino]-2-oxoethyl] ethanethioate
CID 16949122
2-[[2-[1-[[(2S)-oxolan-2-yl]methyl]tetrazol-5-yl]sulfanylacetyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide
CID 41061337
2-[[2-[(5-propan-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 29345154
2-[[2-[(5-propyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 18291297
2-[[2-[[5-[[(2S)-oxolan-2-yl]methylamino]-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 40808922
2-[[2-[1-(2,4-dimethylphenyl)tetrazol-5-yl]sulfanylacetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 16509656
2-[[2-[[4-ethyl-5-(2-hydroxypropan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide
CID 3298069
2-[[2-[1-[[(2R)-oxolan-2-yl]methyl]tetrazol-5-yl]sulfanylacetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 41250771

Frequently Asked Questions

What is the IUPAC name of [(1R)-1-[5-[2-[(3-carbamoyl-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)amino]-2-oxoethyl]sulfanyl-1,3,4-oxadiazol-2-yl]propyl]-dimethylazanium?
The IUPAC name of [(1R)-1-[5-[2-[(3-carbamoyl-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)amino]-2-oxoethyl]sulfanyl-1,3,4-oxadiazol-2-yl]propyl]-dimethylazanium (CID 2161344) is [(1R)-1-[5-[2-[(3-carbamoyl-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)amino]-2-oxoethyl]sulfanyl-1,3,4-oxadiazol-2-yl]propyl]-dimethylazanium.
What is the SMILES notation for [(1R)-1-[5-[2-[(3-carbamoyl-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)amino]-2-oxoethyl]sulfanyl-1,3,4-oxadiazol-2-yl]propyl]-dimethylazanium?
The canonical SMILES for [(1R)-1-[5-[2-[(3-carbamoyl-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)amino]-2-oxoethyl]sulfanyl-1,3,4-oxadiazol-2-yl]propyl]-dimethylazanium is CC[C@H](c1nnc(SCC(=O)Nc2sc3c(c2C(N)=O)CCC3)o1)[NH+](C)C.
What is the InChIKey of [(1R)-1-[5-[2-[(3-carbamoyl-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)amino]-2-oxoethyl]sulfanyl-1,3,4-oxadiazol-2-yl]propyl]-dimethylazanium?
The InChIKey is PNAQEGTXHKUCQG-SNVBAGLBSA-O. The full InChI is InChI=1S/C17H23N5O3S2/c1-4-10(22(2)3)15-20-21-17(25-15)26-8-12(23)19-16-13(14(18)24)9-6-5-7-11(9)27-16/h10H,4-8H2,1-3H3,(H2,18,24)(H,19,23)/p+1/t10-/m1/s1.
What are the key properties of [(1R)-1-[5-[2-[(3-carbamoyl-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)amino]-2-oxoethyl]sulfanyl-1,3,4-oxadiazol-2-yl]propyl]-dimethylazanium?
[(1R)-1-[5-[2-[(3-carbamoyl-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)amino]-2-oxoethyl]sulfanyl-1,3,4-oxadiazol-2-yl]propyl]-dimethylazanium has a molecular weight of 410.55 g/mol, XLogP of 1.05, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-1-[5-[2-[(3-carbamoyl-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)amino]-2-oxoethyl]sulfanyl-1,3,4-oxadiazol-2-yl]propyl]-dimethylazanium is sourced from PubChem (CID 2161344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).