1-(4,5-dihydro-1,3-thiazol-2-yl)-3-phenylurea

C10H11N3OS — CID 773295

IUPAC1-(4,5-dihydro-1,3-thiazol-2-yl)-3-phenylurea
SMILESO=C(NC1=NCCS1)Nc1ccccc1
InChIInChI=1S/C10H11N3OS/c14-9(13-10-11-6-7-15-10)12-8-4-2-1-3-5-8/h1-5H,6-7H2,(H2,11,12,13,14)
InChIKeyOMBKPYVPESRSDE-UHFFFAOYSA-N
MW221.29 g/mol
LogP1.91
Rot. Bonds1

About 1-(4,5-dihydro-1,3-thiazol-2-yl)-3-phenylurea

1-(4,5-dihydro-1,3-thiazol-2-yl)-3-phenylurea (PubChem CID 773295) has the molecular formula C10H11N3OS and a molecular weight of 221.29 g/mol. Its IUPAC name is 1-(4,5-dihydro-1,3-thiazol-2-yl)-3-phenylurea.

Molecular Properties

Compound Name1-(4,5-dihydro-1,3-thiazol-2-yl)-3-phenylurea
PubChem CID773295
Molecular FormulaC10H11N3OS
Molecular Weight221.29 g/mol
Exact Mass221.06
IUPAC Name1-(4,5-dihydro-1,3-thiazol-2-yl)-3-phenylurea
SMILESO=C(NC1=NCCS1)Nc1ccccc1
InChIInChI=1S/C10H11N3OS/c14-9(13-10-11-6-7-15-10)12-8-4-2-1-3-5-8/h1-5H,6-7H2,(H2,11,12,13,14)
InChIKeyOMBKPYVPESRSDE-UHFFFAOYSA-N
XLogP1.91
TPSA53.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.29
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4,5-dihydro-1,3-thiazol-2-yl)-3-phenylurea?
The IUPAC name of 1-(4,5-dihydro-1,3-thiazol-2-yl)-3-phenylurea (CID 773295) is 1-(4,5-dihydro-1,3-thiazol-2-yl)-3-phenylurea.
What is the SMILES notation for 1-(4,5-dihydro-1,3-thiazol-2-yl)-3-phenylurea?
The canonical SMILES for 1-(4,5-dihydro-1,3-thiazol-2-yl)-3-phenylurea is O=C(NC1=NCCS1)Nc1ccccc1.
What is the InChIKey of 1-(4,5-dihydro-1,3-thiazol-2-yl)-3-phenylurea?
The InChIKey is OMBKPYVPESRSDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3OS/c14-9(13-10-11-6-7-15-10)12-8-4-2-1-3-5-8/h1-5H,6-7H2,(H2,11,12,13,14).
What are the key properties of 1-(4,5-dihydro-1,3-thiazol-2-yl)-3-phenylurea?
1-(4,5-dihydro-1,3-thiazol-2-yl)-3-phenylurea has a molecular weight of 221.29 g/mol, XLogP of 1.91, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,5-dihydro-1,3-thiazol-2-yl)-3-phenylurea is sourced from PubChem (CID 773295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).