1-Phenethyl-3-[4-(4-pyridyl)thiazol-2-yl]urea

C17H16N4OS — CID 482056

IUPAC1-(2-phenylethyl)-3-(4-pyridin-4-yl-1,3-thiazol-2-yl)urea
SMILESC1=CC=C(C=C1)CCNC(=O)NC2=NC(=CS2)C3=CC=NC=C3
InChIInChI=1S/C17H16N4OS/c22-16(19-11-6-13-4-2-1-3-5-13)21-17-20-15(12-23-17)14-7-9-18-10-8-14/h1-5,7-10,12H,6,11H2,(H2,19,20,21,22)
InChIKeyMLRYTAMVJDLBKI-UHFFFAOYSA-N
MW324.40 g/mol
LogP2.80
Rot. Bonds5

About 1-Phenethyl-3-[4-(4-pyridyl)thiazol-2-yl]urea

1-Phenethyl-3-[4-(4-pyridyl)thiazol-2-yl]urea (PubChem CID 482056) has the molecular formula C17H16N4OS and a molecular weight of 324.40 g/mol. Its IUPAC name is 1-(2-phenylethyl)-3-(4-pyridin-4-yl-1,3-thiazol-2-yl)urea.

Molecular Properties

Compound Name1-Phenethyl-3-[4-(4-pyridyl)thiazol-2-yl]urea
PubChem CID482056
Molecular FormulaC17H16N4OS
Molecular Weight324.40 g/mol
Exact Mass324.10
IUPAC Name1-(2-phenylethyl)-3-(4-pyridin-4-yl-1,3-thiazol-2-yl)urea
SMILESC1=CC=C(C=C1)CCNC(=O)NC2=NC(=CS2)C3=CC=NC=C3
InChIInChI=1S/C17H16N4OS/c22-16(19-11-6-13-4-2-1-3-5-13)21-17-20-15(12-23-17)14-7-9-18-10-8-14/h1-5,7-10,12H,6,11H2,(H2,19,20,21,22)
InChIKeyMLRYTAMVJDLBKI-UHFFFAOYSA-N
XLogP2.80
TPSA95.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity370

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.40
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-Phenethyl-3-[4-(4-pyridyl)thiazol-2-yl]urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-Phenethyl-3-[4-(4-pyridyl)thiazol-2-yl]urea?
The IUPAC name of 1-Phenethyl-3-[4-(4-pyridyl)thiazol-2-yl]urea (CID 482056) is 1-(2-phenylethyl)-3-(4-pyridin-4-yl-1,3-thiazol-2-yl)urea.
What is the SMILES notation for 1-Phenethyl-3-[4-(4-pyridyl)thiazol-2-yl]urea?
The canonical SMILES for 1-Phenethyl-3-[4-(4-pyridyl)thiazol-2-yl]urea is C1=CC=C(C=C1)CCNC(=O)NC2=NC(=CS2)C3=CC=NC=C3.
What is the InChIKey of 1-Phenethyl-3-[4-(4-pyridyl)thiazol-2-yl]urea?
The InChIKey is MLRYTAMVJDLBKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4OS/c22-16(19-11-6-13-4-2-1-3-5-13)21-17-20-15(12-23-17)14-7-9-18-10-8-14/h1-5,7-10,12H,6,11H2,(H2,19,20,21,22).
What are the key properties of 1-Phenethyl-3-[4-(4-pyridyl)thiazol-2-yl]urea?
1-Phenethyl-3-[4-(4-pyridyl)thiazol-2-yl]urea has a molecular weight of 324.40 g/mol, XLogP of 2.80, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-Phenethyl-3-[4-(4-pyridyl)thiazol-2-yl]urea is sourced from PubChem (CID 482056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).