1-(3-phenylpropyl)-3-(1,3-thiazol-2-yl)urea

C13H15N3OS — CID 47148360

IUPAC1-(3-phenylpropyl)-3-(1,3-thiazol-2-yl)urea
SMILESO=C(NCCCc1ccccc1)Nc1nccs1
InChIInChI=1S/C13H15N3OS/c17-12(16-13-15-9-10-18-13)14-8-4-7-11-5-2-1-3-6-11/h1-3,5-6,9-10H,4,7-8H2,(H2,14,15,16,17)
InChIKeyOUMXYGLOTQLLPN-UHFFFAOYSA-N
MW261.35 g/mol
LogP2.90
Rot. Bonds5

About 1-(3-phenylpropyl)-3-(1,3-thiazol-2-yl)urea

1-(3-phenylpropyl)-3-(1,3-thiazol-2-yl)urea (PubChem CID 47148360) has the molecular formula C13H15N3OS and a molecular weight of 261.35 g/mol. Its IUPAC name is 1-(3-phenylpropyl)-3-(1,3-thiazol-2-yl)urea.

Molecular Properties

Compound Name1-(3-phenylpropyl)-3-(1,3-thiazol-2-yl)urea
PubChem CID47148360
Molecular FormulaC13H15N3OS
Molecular Weight261.35 g/mol
Exact Mass261.09
IUPAC Name1-(3-phenylpropyl)-3-(1,3-thiazol-2-yl)urea
SMILESO=C(NCCCc1ccccc1)Nc1nccs1
InChIInChI=1S/C13H15N3OS/c17-12(16-13-15-9-10-18-13)14-8-4-7-11-5-2-1-3-6-11/h1-3,5-6,9-10H,4,7-8H2,(H2,14,15,16,17)
InChIKeyOUMXYGLOTQLLPN-UHFFFAOYSA-N
XLogP2.90
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.35
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[3-(2-chlorophenoxy)propyl]-3-(1,3-thiazol-2-yl)urea
CID 108883461
2-methyl-5-(1,3-thiazol-2-ylcarbamoylamino)pentanoic acid
CID 104686066
1-(5-cyano-1,3-thiazol-2-yl)-3-(3-phenylpropyl)urea
CID 90603725
1-(3-phenylpropyl)-3-pyrazin-2-ylurea
CID 108893900
3-methyl-4-(3-phenylpropylamino)-N-(1,3-thiazol-2-yl)benzamide
CID 175248146
1-benzyl-3-[2-(1,3-thiazol-2-yl)ethyl]urea
CID 49470436
1-[2-(4-prop-2-ynoxyphenyl)ethyl]-3-(1,3-thiazol-2-yl)urea
CID 47085432
1-ethyl-3-(3-phenylpropyl)urea
CID 11769661
1-[2-[bis[2-(3-phenylpropylcarbamoylamino)ethyl]amino]ethyl]-3-(3-phenylpropyl)urea
CID 101049094
5-(2-phenylethyl)-N-(1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide
CID 11544198
1-[2-(3,4-dimethoxyphenyl)ethyl]-3-(1,3-thiazol-2-yl)urea
CID 108891342
1-(4-phenylphenyl)-3-(3-phenylpropyl)urea
CID 108867243

Frequently Asked Questions

What is the IUPAC name of 1-(3-phenylpropyl)-3-(1,3-thiazol-2-yl)urea?
The IUPAC name of 1-(3-phenylpropyl)-3-(1,3-thiazol-2-yl)urea (CID 47148360) is 1-(3-phenylpropyl)-3-(1,3-thiazol-2-yl)urea.
What is the SMILES notation for 1-(3-phenylpropyl)-3-(1,3-thiazol-2-yl)urea?
The canonical SMILES for 1-(3-phenylpropyl)-3-(1,3-thiazol-2-yl)urea is O=C(NCCCc1ccccc1)Nc1nccs1.
What is the InChIKey of 1-(3-phenylpropyl)-3-(1,3-thiazol-2-yl)urea?
The InChIKey is OUMXYGLOTQLLPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3OS/c17-12(16-13-15-9-10-18-13)14-8-4-7-11-5-2-1-3-6-11/h1-3,5-6,9-10H,4,7-8H2,(H2,14,15,16,17).
What are the key properties of 1-(3-phenylpropyl)-3-(1,3-thiazol-2-yl)urea?
1-(3-phenylpropyl)-3-(1,3-thiazol-2-yl)urea has a molecular weight of 261.35 g/mol, XLogP of 2.90, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-phenylpropyl)-3-(1,3-thiazol-2-yl)urea is sourced from PubChem (CID 47148360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).