5-[(4S)-2-oxo-1,3,4,6-tetrahydrothieno[3,4-d]imidazol-4-yl]pentanoic acid

C10H14N2O3S — CID 56940701

IUPAC5-[(4S)-2-oxo-1,3,4,6-tetrahydrothieno[3,4-d]imidazol-4-yl]pentanoic acid
SMILESO=C(O)CCCC[C@@H]1SCc2[nH]c(=O)[nH]c21
InChIInChI=1S/C10H14N2O3S/c13-8(14)4-2-1-3-7-9-6(5-16-7)11-10(15)12-9/h7H,1-5H2,(H,13,14)(H2,11,12,15)/t7-/m0/s1
InChIKeyBPARNYZCFXOEKY-ZETCQYMHSA-N
MW242.30 g/mol
LogP1.64
Rot. Bonds5

About 5-[(4S)-2-oxo-1,3,4,6-tetrahydrothieno[3,4-d]imidazol-4-yl]pentanoic acid

5-[(4S)-2-oxo-1,3,4,6-tetrahydrothieno[3,4-d]imidazol-4-yl]pentanoic acid (PubChem CID 56940701) has the molecular formula C10H14N2O3S and a molecular weight of 242.30 g/mol. Its IUPAC name is 5-[(4S)-2-oxo-1,3,4,6-tetrahydrothieno[3,4-d]imidazol-4-yl]pentanoic acid.

Molecular Properties

Compound Name5-[(4S)-2-oxo-1,3,4,6-tetrahydrothieno[3,4-d]imidazol-4-yl]pentanoic acid
PubChem CID56940701
Molecular FormulaC10H14N2O3S
Molecular Weight242.30 g/mol
Exact Mass242.07
IUPAC Name5-[(4S)-2-oxo-1,3,4,6-tetrahydrothieno[3,4-d]imidazol-4-yl]pentanoic acid
SMILESO=C(O)CCCC[C@@H]1SCc2[nH]c(=O)[nH]c21
InChIInChI=1S/C10H14N2O3S/c13-8(14)4-2-1-3-7-9-6(5-16-7)11-10(15)12-9/h7H,1-5H2,(H,13,14)(H2,11,12,15)/t7-/m0/s1
InChIKeyBPARNYZCFXOEKY-ZETCQYMHSA-N
XLogP1.64
TPSA85.95 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.30
LogP ≤ 51.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-[(4S)-2-oxo-1,4,6,6a-tetrahydrothieno[3,4-d]imidazol-4-yl]pentanoic acid
CID 118363561
5-(1,3,5-trithian-2-yl)pentanoic acid
CID 131698885
5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoic acid;λ2-plumbane
CID 174156110
5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoic acid;silane
CID 161461171
7-[(2S)-1-(4-hydroxybutyl)-3-oxopyrrolidin-2-yl]heptanoic acid
CID 59659393
5-[(3aS,4S,6aR)-3a-methyl-2-oxo-3,4,6,6a-tetrahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanoic acid
CID 147769735
5-[(3aS,4S)-2-amino-3a,4,6,6a-tetrahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanoic acid
CID 121337643
bis(5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoic acid);azide
CID 175749247
5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoic acid;piperazine
CID 88707271
5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoic acid;2-aminoacetic acid
CID 135305544
5-[(3aS,4S,6aR)-3-hexyl-2-oxo-3a,4,6,6a-tetrahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanoic acid
CID 87758275
5-[(2S,3S,4R)-3-amino-4-(15N)azanylthiolan-2-yl]pentanoic acid
CID 10104842

Frequently Asked Questions

What is the IUPAC name of 5-[(4S)-2-oxo-1,3,4,6-tetrahydrothieno[3,4-d]imidazol-4-yl]pentanoic acid?
The IUPAC name of 5-[(4S)-2-oxo-1,3,4,6-tetrahydrothieno[3,4-d]imidazol-4-yl]pentanoic acid (CID 56940701) is 5-[(4S)-2-oxo-1,3,4,6-tetrahydrothieno[3,4-d]imidazol-4-yl]pentanoic acid.
What is the SMILES notation for 5-[(4S)-2-oxo-1,3,4,6-tetrahydrothieno[3,4-d]imidazol-4-yl]pentanoic acid?
The canonical SMILES for 5-[(4S)-2-oxo-1,3,4,6-tetrahydrothieno[3,4-d]imidazol-4-yl]pentanoic acid is O=C(O)CCCC[C@@H]1SCc2[nH]c(=O)[nH]c21.
What is the InChIKey of 5-[(4S)-2-oxo-1,3,4,6-tetrahydrothieno[3,4-d]imidazol-4-yl]pentanoic acid?
The InChIKey is BPARNYZCFXOEKY-ZETCQYMHSA-N. The full InChI is InChI=1S/C10H14N2O3S/c13-8(14)4-2-1-3-7-9-6(5-16-7)11-10(15)12-9/h7H,1-5H2,(H,13,14)(H2,11,12,15)/t7-/m0/s1.
What are the key properties of 5-[(4S)-2-oxo-1,3,4,6-tetrahydrothieno[3,4-d]imidazol-4-yl]pentanoic acid?
5-[(4S)-2-oxo-1,3,4,6-tetrahydrothieno[3,4-d]imidazol-4-yl]pentanoic acid has a molecular weight of 242.30 g/mol, XLogP of 1.64, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4S)-2-oxo-1,3,4,6-tetrahydrothieno[3,4-d]imidazol-4-yl]pentanoic acid is sourced from PubChem (CID 56940701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).