1-[(2S)-2-[1-(2-thiophen-2-ylethyl)tetrazol-5-yl]sulfanylpropanoyl]imidazolidin-2-one

C13H16N6O2S2 — CID 40798767

IUPAC1-[(2S)-2-[1-(2-thiophen-2-ylethyl)tetrazol-5-yl]sulfanylpropanoyl]imidazolidin-2-one
SMILESC[C@H](Sc1nnnn1CCc1cccs1)C(=O)N1CCNC1=O
InChIInChI=1S/C13H16N6O2S2/c1-9(11(20)18-7-5-14-12(18)21)23-13-15-16-17-19(13)6-4-10-3-2-8-22-10/h2-3,8-9H,4-7H2,1H3,(H,14,21)/t9-/m0/s1
InChIKeyGUNYABYIECJHIQ-VIFPVBQESA-N
MW352.45 g/mol
LogP1.01
Rot. Bonds6

About 1-[(2S)-2-[1-(2-thiophen-2-ylethyl)tetrazol-5-yl]sulfanylpropanoyl]imidazolidin-2-one

1-[(2S)-2-[1-(2-thiophen-2-ylethyl)tetrazol-5-yl]sulfanylpropanoyl]imidazolidin-2-one (PubChem CID 40798767) has the molecular formula C13H16N6O2S2 and a molecular weight of 352.45 g/mol. Its IUPAC name is 1-[(2S)-2-[1-(2-thiophen-2-ylethyl)tetrazol-5-yl]sulfanylpropanoyl]imidazolidin-2-one.

Molecular Properties

Compound Name1-[(2S)-2-[1-(2-thiophen-2-ylethyl)tetrazol-5-yl]sulfanylpropanoyl]imidazolidin-2-one
PubChem CID40798767
Molecular FormulaC13H16N6O2S2
Molecular Weight352.45 g/mol
Exact Mass352.08
IUPAC Name1-[(2S)-2-[1-(2-thiophen-2-ylethyl)tetrazol-5-yl]sulfanylpropanoyl]imidazolidin-2-one
SMILESC[C@H](Sc1nnnn1CCc1cccs1)C(=O)N1CCNC1=O
InChIInChI=1S/C13H16N6O2S2/c1-9(11(20)18-7-5-14-12(18)21)23-13-15-16-17-19(13)6-4-10-3-2-8-22-10/h2-3,8-9H,4-7H2,1H3,(H,14,21)/t9-/m0/s1
InChIKeyGUNYABYIECJHIQ-VIFPVBQESA-N
XLogP1.01
TPSA93.01 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.45
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 1-[(2S)-2-[1-(2-thiophen-2-ylethyl)tetrazol-5-yl]sulfanylpropanoyl]imidazolidin-2-one with MolForge

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Related Compounds

1-[2-[1-(2-thiophen-2-ylethyl)tetrazol-5-yl]sulfanylpropanoyl]imidazolidin-2-one
CID 17437207
1-[2-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]sulfanylpropanoyl]imidazolidin-2-one
CID 17398260
1-[(2R)-2-[1-(3-chlorophenyl)tetrazol-5-yl]sulfanylpropanoyl]imidazolidin-2-one
CID 8861400
1-[(2R)-2-[[4-methyl-5-(2-methylfuran-3-yl)-1,2,4-triazol-3-yl]sulfanyl]propanoyl]imidazolidin-2-one
CID 99641908
3-cyclopropyl-5-[(1R)-1-[1-(2-thiophen-2-ylethyl)tetrazol-5-yl]sulfanylethyl]-1,2,4-oxadiazole
CID 94500022
1-[2-[[4-methyl-5-(2-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]propanoyl]imidazolidin-2-one
CID 18091672
1-[2-[4-(2-thiophen-2-ylethyl)piperazin-1-yl]acetyl]imidazolidin-2-one
CID 47073365
1-[(2R)-2-[1-(2-methoxy-5-methylphenyl)tetrazol-5-yl]sulfanylpropanoyl]imidazolidin-2-one
CID 8682951
1-(4-chlorophenyl)-2-[1-(2-thiophen-2-ylethyl)tetrazol-5-yl]sulfanylethanone
CID 17394088
1-[(2R)-2-[[5-benzyl-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]sulfanyl]propanoyl]imidazolidin-2-one
CID 8885901
N-prop-2-ynyl-2-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]sulfanylpropanamide
CID 47145688
1-[2-[[5-(furan-2-yl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]propanoyl]imidazolidin-2-one
CID 51294621

Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-2-[1-(2-thiophen-2-ylethyl)tetrazol-5-yl]sulfanylpropanoyl]imidazolidin-2-one?
The IUPAC name of 1-[(2S)-2-[1-(2-thiophen-2-ylethyl)tetrazol-5-yl]sulfanylpropanoyl]imidazolidin-2-one (CID 40798767) is 1-[(2S)-2-[1-(2-thiophen-2-ylethyl)tetrazol-5-yl]sulfanylpropanoyl]imidazolidin-2-one.
What is the SMILES notation for 1-[(2S)-2-[1-(2-thiophen-2-ylethyl)tetrazol-5-yl]sulfanylpropanoyl]imidazolidin-2-one?
The canonical SMILES for 1-[(2S)-2-[1-(2-thiophen-2-ylethyl)tetrazol-5-yl]sulfanylpropanoyl]imidazolidin-2-one is C[C@H](Sc1nnnn1CCc1cccs1)C(=O)N1CCNC1=O.
What is the InChIKey of 1-[(2S)-2-[1-(2-thiophen-2-ylethyl)tetrazol-5-yl]sulfanylpropanoyl]imidazolidin-2-one?
The InChIKey is GUNYABYIECJHIQ-VIFPVBQESA-N. The full InChI is InChI=1S/C13H16N6O2S2/c1-9(11(20)18-7-5-14-12(18)21)23-13-15-16-17-19(13)6-4-10-3-2-8-22-10/h2-3,8-9H,4-7H2,1H3,(H,14,21)/t9-/m0/s1.
What are the key properties of 1-[(2S)-2-[1-(2-thiophen-2-ylethyl)tetrazol-5-yl]sulfanylpropanoyl]imidazolidin-2-one?
1-[(2S)-2-[1-(2-thiophen-2-ylethyl)tetrazol-5-yl]sulfanylpropanoyl]imidazolidin-2-one has a molecular weight of 352.45 g/mol, XLogP of 1.01, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-2-[1-(2-thiophen-2-ylethyl)tetrazol-5-yl]sulfanylpropanoyl]imidazolidin-2-one is sourced from PubChem (CID 40798767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).