1-(2-morpholin-4-ylethyl)-3-(1,3-thiazol-2-yl)thiourea

C10H16N4OS2 — CID 19704022

IUPAC1-(2-morpholin-4-ylethyl)-3-(1,3-thiazol-2-yl)thiourea
SMILESS=C(NCCN1CCOCC1)Nc1nccs1
InChIInChI=1S/C10H16N4OS2/c16-9(13-10-12-2-8-17-10)11-1-3-14-4-6-15-7-5-14/h2,8H,1,3-7H2,(H2,11,12,13,16)
InChIKeyGRDCHNJAHYNQLI-UHFFFAOYSA-N
MW272.40 g/mol
LogP0.76
Rot. Bonds4

About 1-(2-morpholin-4-ylethyl)-3-(1,3-thiazol-2-yl)thiourea

1-(2-morpholin-4-ylethyl)-3-(1,3-thiazol-2-yl)thiourea (PubChem CID 19704022) has the molecular formula C10H16N4OS2 and a molecular weight of 272.40 g/mol. Its IUPAC name is 1-(2-morpholin-4-ylethyl)-3-(1,3-thiazol-2-yl)thiourea.

Molecular Properties

Compound Name1-(2-morpholin-4-ylethyl)-3-(1,3-thiazol-2-yl)thiourea
PubChem CID19704022
Molecular FormulaC10H16N4OS2
Molecular Weight272.40 g/mol
Exact Mass272.08
IUPAC Name1-(2-morpholin-4-ylethyl)-3-(1,3-thiazol-2-yl)thiourea
SMILESS=C(NCCN1CCOCC1)Nc1nccs1
InChIInChI=1S/C10H16N4OS2/c16-9(13-10-12-2-8-17-10)11-1-3-14-4-6-15-7-5-14/h2,8H,1,3-7H2,(H2,11,12,13,16)
InChIKeyGRDCHNJAHYNQLI-UHFFFAOYSA-N
XLogP0.76
TPSA49.42 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.40
LogP ≤ 50.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(2-morpholin-4-ylethyl)-3-(1,3-thiazol-2-yl)thiourea?
The IUPAC name of 1-(2-morpholin-4-ylethyl)-3-(1,3-thiazol-2-yl)thiourea (CID 19704022) is 1-(2-morpholin-4-ylethyl)-3-(1,3-thiazol-2-yl)thiourea.
What is the SMILES notation for 1-(2-morpholin-4-ylethyl)-3-(1,3-thiazol-2-yl)thiourea?
The canonical SMILES for 1-(2-morpholin-4-ylethyl)-3-(1,3-thiazol-2-yl)thiourea is S=C(NCCN1CCOCC1)Nc1nccs1.
What is the InChIKey of 1-(2-morpholin-4-ylethyl)-3-(1,3-thiazol-2-yl)thiourea?
The InChIKey is GRDCHNJAHYNQLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4OS2/c16-9(13-10-12-2-8-17-10)11-1-3-14-4-6-15-7-5-14/h2,8H,1,3-7H2,(H2,11,12,13,16).
What are the key properties of 1-(2-morpholin-4-ylethyl)-3-(1,3-thiazol-2-yl)thiourea?
1-(2-morpholin-4-ylethyl)-3-(1,3-thiazol-2-yl)thiourea has a molecular weight of 272.40 g/mol, XLogP of 0.76, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-morpholin-4-ylethyl)-3-(1,3-thiazol-2-yl)thiourea is sourced from PubChem (CID 19704022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).