1-phenyl-3-[2-(4-pyridin-2-yl-1,3-thiazol-2-yl)ethyl]urea

C17H16N4OS — CID 110317549

IUPAC1-phenyl-3-[2-(4-pyridin-2-yl-1,3-thiazol-2-yl)ethyl]urea
SMILESO=C(NCCc1nc(-c2ccccn2)cs1)Nc1ccccc1
InChIInChI=1S/C17H16N4OS/c22-17(20-13-6-2-1-3-7-13)19-11-9-16-21-15(12-23-16)14-8-4-5-10-18-14/h1-8,10,12H,9,11H2,(H2,19,20,22)
InChIKeyBCZROIRWCONIAE-UHFFFAOYSA-N
MW324.41 g/mol
LogP3.57
Rot. Bonds5

About 1-phenyl-3-[2-(4-pyridin-2-yl-1,3-thiazol-2-yl)ethyl]urea

1-phenyl-3-[2-(4-pyridin-2-yl-1,3-thiazol-2-yl)ethyl]urea (PubChem CID 110317549) has the molecular formula C17H16N4OS and a molecular weight of 324.41 g/mol. Its IUPAC name is 1-phenyl-3-[2-(4-pyridin-2-yl-1,3-thiazol-2-yl)ethyl]urea.

Molecular Properties

Compound Name1-phenyl-3-[2-(4-pyridin-2-yl-1,3-thiazol-2-yl)ethyl]urea
PubChem CID110317549
Molecular FormulaC17H16N4OS
Molecular Weight324.41 g/mol
Exact Mass324.10
IUPAC Name1-phenyl-3-[2-(4-pyridin-2-yl-1,3-thiazol-2-yl)ethyl]urea
SMILESO=C(NCCc1nc(-c2ccccn2)cs1)Nc1ccccc1
InChIInChI=1S/C17H16N4OS/c22-17(20-13-6-2-1-3-7-13)19-11-9-16-21-15(12-23-16)14-8-4-5-10-18-14/h1-8,10,12H,9,11H2,(H2,19,20,22)
InChIKeyBCZROIRWCONIAE-UHFFFAOYSA-N
XLogP3.57
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.41
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-phenyl-3-[2-(4-pyridin-2-yl-1,3-thiazol-2-yl)ethyl]urea with MolForge

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

Launch Full Analysis

Related Compounds

1-phenyl-3-[2-(4-pyridin-4-yl-1,3-thiazol-2-yl)ethyl]urea
CID 110317790
N-[2-(4-pyridin-2-yl-1,3-thiazol-2-yl)ethyl]acetamide
CID 110317508
methyl N-[2-(4-pyridin-2-yl-1,3-thiazol-2-yl)ethyl]carbamate
CID 110317565
2-hydroxy-2-phenyl-N-[2-(4-pyridin-2-yl-1,3-thiazol-2-yl)ethyl]acetamide
CID 111520424
3-amino-N-[2-(4-pyridin-2-yl-1,3-thiazol-2-yl)ethyl]propanamide;dihydrochloride
CID 119882653
2-(methylamino)-N-[2-(4-pyridin-2-yl-1,3-thiazol-2-yl)ethyl]acetamide
CID 119882616
N-[2-(4-pyridin-2-yl-1,3-thiazol-2-yl)ethyl]furan-2-carboxamide
CID 110317519
2-(4-chlorophenyl)-N-[2-(4-pyridin-2-yl-1,3-thiazol-2-yl)ethyl]acetamide
CID 110317539
N-benzyl-2-[2-(phenylcarbamoylamino)ethyl]-1,3-thiazole-4-carboxamide
CID 129052685
5-chloro-N-[2-(4-pyridin-2-yl-1,3-thiazol-2-yl)ethyl]pyrimidine-4-carboxamide
CID 146128448
5-chloro-2-fluoro-N-[2-(4-pyridin-2-yl-1,3-thiazol-2-yl)ethyl]benzamide
CID 146126260
2,4-difluoro-N-[2-(4-pyridin-2-yl-1,3-thiazol-2-yl)ethyl]benzamide
CID 146126257

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-3-[2-(4-pyridin-2-yl-1,3-thiazol-2-yl)ethyl]urea?
The IUPAC name of 1-phenyl-3-[2-(4-pyridin-2-yl-1,3-thiazol-2-yl)ethyl]urea (CID 110317549) is 1-phenyl-3-[2-(4-pyridin-2-yl-1,3-thiazol-2-yl)ethyl]urea.
What is the SMILES notation for 1-phenyl-3-[2-(4-pyridin-2-yl-1,3-thiazol-2-yl)ethyl]urea?
The canonical SMILES for 1-phenyl-3-[2-(4-pyridin-2-yl-1,3-thiazol-2-yl)ethyl]urea is O=C(NCCc1nc(-c2ccccn2)cs1)Nc1ccccc1.
What is the InChIKey of 1-phenyl-3-[2-(4-pyridin-2-yl-1,3-thiazol-2-yl)ethyl]urea?
The InChIKey is BCZROIRWCONIAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4OS/c22-17(20-13-6-2-1-3-7-13)19-11-9-16-21-15(12-23-16)14-8-4-5-10-18-14/h1-8,10,12H,9,11H2,(H2,19,20,22).
What are the key properties of 1-phenyl-3-[2-(4-pyridin-2-yl-1,3-thiazol-2-yl)ethyl]urea?
1-phenyl-3-[2-(4-pyridin-2-yl-1,3-thiazol-2-yl)ethyl]urea has a molecular weight of 324.41 g/mol, XLogP of 3.57, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-3-[2-(4-pyridin-2-yl-1,3-thiazol-2-yl)ethyl]urea is sourced from PubChem (CID 110317549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).