1-ethyl-3-[5-(1H-imidazol-5-yl)pentyl]thiourea

C11H20N4S — CID 10466840

IUPAC1-ethyl-3-[5-(1H-imidazol-5-yl)pentyl]thiourea
SMILESCCNC(=S)NCCCCCc1cnc[nH]1
InChIInChI=1S/C11H20N4S/c1-2-13-11(16)14-7-5-3-4-6-10-8-12-9-15-10/h8-9H,2-7H2,1H3,(H,12,15)(H2,13,14,16)
InChIKeyQOODRBUSKHNWEJ-UHFFFAOYSA-N
MW240.38 g/mol
LogP1.61
Rot. Bonds7

About 1-ethyl-3-[5-(1H-imidazol-5-yl)pentyl]thiourea

1-ethyl-3-[5-(1H-imidazol-5-yl)pentyl]thiourea (PubChem CID 10466840) has the molecular formula C11H20N4S and a molecular weight of 240.38 g/mol. Its IUPAC name is 1-ethyl-3-[5-(1H-imidazol-5-yl)pentyl]thiourea.

Molecular Properties

Compound Name1-ethyl-3-[5-(1H-imidazol-5-yl)pentyl]thiourea
PubChem CID10466840
Molecular FormulaC11H20N4S
Molecular Weight240.38 g/mol
Exact Mass240.14
IUPAC Name1-ethyl-3-[5-(1H-imidazol-5-yl)pentyl]thiourea
SMILESCCNC(=S)NCCCCCc1cnc[nH]1
InChIInChI=1S/C11H20N4S/c1-2-13-11(16)14-7-5-3-4-6-10-8-12-9-15-10/h8-9H,2-7H2,1H3,(H,12,15)(H2,13,14,16)
InChIKeyQOODRBUSKHNWEJ-UHFFFAOYSA-N
XLogP1.61
TPSA52.74 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.38
LogP ≤ 51.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-[5-(1H-imidazol-5-yl)pentyl]thiourea?
The IUPAC name of 1-ethyl-3-[5-(1H-imidazol-5-yl)pentyl]thiourea (CID 10466840) is 1-ethyl-3-[5-(1H-imidazol-5-yl)pentyl]thiourea.
What is the SMILES notation for 1-ethyl-3-[5-(1H-imidazol-5-yl)pentyl]thiourea?
The canonical SMILES for 1-ethyl-3-[5-(1H-imidazol-5-yl)pentyl]thiourea is CCNC(=S)NCCCCCc1cnc[nH]1.
What is the InChIKey of 1-ethyl-3-[5-(1H-imidazol-5-yl)pentyl]thiourea?
The InChIKey is QOODRBUSKHNWEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4S/c1-2-13-11(16)14-7-5-3-4-6-10-8-12-9-15-10/h8-9H,2-7H2,1H3,(H,12,15)(H2,13,14,16).
What are the key properties of 1-ethyl-3-[5-(1H-imidazol-5-yl)pentyl]thiourea?
1-ethyl-3-[5-(1H-imidazol-5-yl)pentyl]thiourea has a molecular weight of 240.38 g/mol, XLogP of 1.61, 7 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-[5-(1H-imidazol-5-yl)pentyl]thiourea is sourced from PubChem (CID 10466840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).