1-[(5-ethyl-1,3-oxazol-2-yl)methyl]-3-propylthiourea

C10H17N3OS — CID 106370535

IUPAC1-[(5-ethyl-1,3-oxazol-2-yl)methyl]-3-propylthiourea
SMILESCCCNC(=S)NCc1ncc(CC)o1
InChIInChI=1S/C10H17N3OS/c1-3-5-11-10(15)13-7-9-12-6-8(4-2)14-9/h6H,3-5,7H2,1-2H3,(H2,11,13,15)
InChIKeyALSLWGKHYRSLBT-UHFFFAOYSA-N
MW227.33 g/mol
LogP1.61
Rot. Bonds5

About 1-[(5-ethyl-1,3-oxazol-2-yl)methyl]-3-propylthiourea

1-[(5-ethyl-1,3-oxazol-2-yl)methyl]-3-propylthiourea (PubChem CID 106370535) has the molecular formula C10H17N3OS and a molecular weight of 227.33 g/mol. Its IUPAC name is 1-[(5-ethyl-1,3-oxazol-2-yl)methyl]-3-propylthiourea.

Molecular Properties

Compound Name1-[(5-ethyl-1,3-oxazol-2-yl)methyl]-3-propylthiourea
PubChem CID106370535
Molecular FormulaC10H17N3OS
Molecular Weight227.33 g/mol
Exact Mass227.11
IUPAC Name1-[(5-ethyl-1,3-oxazol-2-yl)methyl]-3-propylthiourea
SMILESCCCNC(=S)NCc1ncc(CC)o1
InChIInChI=1S/C10H17N3OS/c1-3-5-11-10(15)13-7-9-12-6-8(4-2)14-9/h6H,3-5,7H2,1-2H3,(H2,11,13,15)
InChIKeyALSLWGKHYRSLBT-UHFFFAOYSA-N
XLogP1.61
TPSA50.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.33
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[(5-ethyl-1,3-oxazol-2-yl)methyl]butan-1-amine
CID 106369292
N-[(5-propyl-1,3-oxazol-2-yl)methyl]propan-1-amine
CID 65184036
(2S)-2-amino-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]propanamide
CID 106371001
3-[(5-ethyl-1,3-oxazol-2-yl)methylamino]propanamide
CID 106371045
N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-2-methylpropan-2-amine
CID 65184221
1-(4-aminophenyl)-3-[(5-ethyl-1,3-oxazol-2-yl)methyl]urea
CID 106373291
2-amino-2-ethyl-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]butanamide
CID 106370796
N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-3-methyl-2-sulfanylbutanamide
CID 106377749
4-amino-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-3,5-difluorobenzamide
CID 106377037
4-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-2-methyl-6-N-propylpyrimidine-4,6-diamine
CID 106378500
ethyl 2-[(5-ethyl-1,3-oxazol-2-yl)methylamino]butanoate
CID 106371541
N-[(5-ethyl-1,3-oxazol-2-yl)methyl]azepane-1-carboxamide
CID 106370575

Frequently Asked Questions

What is the IUPAC name of 1-[(5-ethyl-1,3-oxazol-2-yl)methyl]-3-propylthiourea?
The IUPAC name of 1-[(5-ethyl-1,3-oxazol-2-yl)methyl]-3-propylthiourea (CID 106370535) is 1-[(5-ethyl-1,3-oxazol-2-yl)methyl]-3-propylthiourea.
What is the SMILES notation for 1-[(5-ethyl-1,3-oxazol-2-yl)methyl]-3-propylthiourea?
The canonical SMILES for 1-[(5-ethyl-1,3-oxazol-2-yl)methyl]-3-propylthiourea is CCCNC(=S)NCc1ncc(CC)o1.
What is the InChIKey of 1-[(5-ethyl-1,3-oxazol-2-yl)methyl]-3-propylthiourea?
The InChIKey is ALSLWGKHYRSLBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3OS/c1-3-5-11-10(15)13-7-9-12-6-8(4-2)14-9/h6H,3-5,7H2,1-2H3,(H2,11,13,15).
What are the key properties of 1-[(5-ethyl-1,3-oxazol-2-yl)methyl]-3-propylthiourea?
1-[(5-ethyl-1,3-oxazol-2-yl)methyl]-3-propylthiourea has a molecular weight of 227.33 g/mol, XLogP of 1.61, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-ethyl-1,3-oxazol-2-yl)methyl]-3-propylthiourea is sourced from PubChem (CID 106370535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).