N-iodo-5-(2-oxo-1,3-dihydrothieno[3,4-d]imidazol-4-yl)pentanamide

C10H12IN3O2S — CID 163449157

IUPACN-iodo-5-(2-oxo-1,3-dihydrothieno[3,4-d]imidazol-4-yl)pentanamide
SMILESO=C(CCCCc1scc2[nH]c(=O)[nH]c12)NI
InChIInChI=1S/C10H12IN3O2S/c11-14-8(15)4-2-1-3-7-9-6(5-17-7)12-10(16)13-9/h5H,1-4H2,(H,14,15)(H2,12,13,16)
InChIKeyBFCQHWLQTPOBOL-UHFFFAOYSA-N
MW365.20 g/mol
LogP2.10
Rot. Bonds5

About N-iodo-5-(2-oxo-1,3-dihydrothieno[3,4-d]imidazol-4-yl)pentanamide

N-iodo-5-(2-oxo-1,3-dihydrothieno[3,4-d]imidazol-4-yl)pentanamide (PubChem CID 163449157) has the molecular formula C10H12IN3O2S and a molecular weight of 365.20 g/mol. Its IUPAC name is N-iodo-5-(2-oxo-1,3-dihydrothieno[3,4-d]imidazol-4-yl)pentanamide.

Molecular Properties

Compound NameN-iodo-5-(2-oxo-1,3-dihydrothieno[3,4-d]imidazol-4-yl)pentanamide
PubChem CID163449157
Molecular FormulaC10H12IN3O2S
Molecular Weight365.20 g/mol
Exact Mass364.97
IUPAC NameN-iodo-5-(2-oxo-1,3-dihydrothieno[3,4-d]imidazol-4-yl)pentanamide
SMILESO=C(CCCCc1scc2[nH]c(=O)[nH]c12)NI
InChIInChI=1S/C10H12IN3O2S/c11-14-8(15)4-2-1-3-7-9-6(5-17-7)12-10(16)13-9/h5H,1-4H2,(H,14,15)(H2,12,13,16)
InChIKeyBFCQHWLQTPOBOL-UHFFFAOYSA-N
XLogP2.10
TPSA77.75 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.20
LogP ≤ 52.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-iodo-5-(2-oxo-1,3-dihydrothieno[3,4-d]imidazol-4-yl)pentanamide?
The IUPAC name of N-iodo-5-(2-oxo-1,3-dihydrothieno[3,4-d]imidazol-4-yl)pentanamide (CID 163449157) is N-iodo-5-(2-oxo-1,3-dihydrothieno[3,4-d]imidazol-4-yl)pentanamide.
What is the SMILES notation for N-iodo-5-(2-oxo-1,3-dihydrothieno[3,4-d]imidazol-4-yl)pentanamide?
The canonical SMILES for N-iodo-5-(2-oxo-1,3-dihydrothieno[3,4-d]imidazol-4-yl)pentanamide is O=C(CCCCc1scc2[nH]c(=O)[nH]c12)NI.
What is the InChIKey of N-iodo-5-(2-oxo-1,3-dihydrothieno[3,4-d]imidazol-4-yl)pentanamide?
The InChIKey is BFCQHWLQTPOBOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12IN3O2S/c11-14-8(15)4-2-1-3-7-9-6(5-17-7)12-10(16)13-9/h5H,1-4H2,(H,14,15)(H2,12,13,16).
What are the key properties of N-iodo-5-(2-oxo-1,3-dihydrothieno[3,4-d]imidazol-4-yl)pentanamide?
N-iodo-5-(2-oxo-1,3-dihydrothieno[3,4-d]imidazol-4-yl)pentanamide has a molecular weight of 365.20 g/mol, XLogP of 2.10, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-iodo-5-(2-oxo-1,3-dihydrothieno[3,4-d]imidazol-4-yl)pentanamide is sourced from PubChem (CID 163449157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).