1-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-3-(2-methoxyethyl)thiourea

C11H19N3OS2 — CID 113225536

IUPAC1-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-3-(2-methoxyethyl)thiourea
SMILESCOCCNC(=S)NC(C)c1sc(C)nc1C
InChIInChI=1S/C11H19N3OS2/c1-7-10(17-9(3)13-7)8(2)14-11(16)12-5-6-15-4/h8H,5-6H2,1-4H3,(H2,12,14,16)
InChIKeyASOXPUGZOATDQO-UHFFFAOYSA-N
MW273.43 g/mol
LogP1.93
Rot. Bonds5

About 1-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-3-(2-methoxyethyl)thiourea

1-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-3-(2-methoxyethyl)thiourea (PubChem CID 113225536) has the molecular formula C11H19N3OS2 and a molecular weight of 273.43 g/mol. Its IUPAC name is 1-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-3-(2-methoxyethyl)thiourea.

Molecular Properties

Compound Name1-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-3-(2-methoxyethyl)thiourea
PubChem CID113225536
Molecular FormulaC11H19N3OS2
Molecular Weight273.43 g/mol
Exact Mass273.10
IUPAC Name1-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-3-(2-methoxyethyl)thiourea
SMILESCOCCNC(=S)NC(C)c1sc(C)nc1C
InChIInChI=1S/C11H19N3OS2/c1-7-10(17-9(3)13-7)8(2)14-11(16)12-5-6-15-4/h8H,5-6H2,1-4H3,(H2,12,14,16)
InChIKeyASOXPUGZOATDQO-UHFFFAOYSA-N
XLogP1.93
TPSA46.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.43
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-3-(2-methoxyethyl)thiourea?
The IUPAC name of 1-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-3-(2-methoxyethyl)thiourea (CID 113225536) is 1-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-3-(2-methoxyethyl)thiourea.
What is the SMILES notation for 1-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-3-(2-methoxyethyl)thiourea?
The canonical SMILES for 1-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-3-(2-methoxyethyl)thiourea is COCCNC(=S)NC(C)c1sc(C)nc1C.
What is the InChIKey of 1-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-3-(2-methoxyethyl)thiourea?
The InChIKey is ASOXPUGZOATDQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3OS2/c1-7-10(17-9(3)13-7)8(2)14-11(16)12-5-6-15-4/h8H,5-6H2,1-4H3,(H2,12,14,16).
What are the key properties of 1-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-3-(2-methoxyethyl)thiourea?
1-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-3-(2-methoxyethyl)thiourea has a molecular weight of 273.43 g/mol, XLogP of 1.93, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-3-(2-methoxyethyl)thiourea is sourced from PubChem (CID 113225536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).