1-phenyl-3-[5-[2-(quinazolin-4-ylamino)ethyl]-1,3-thiazol-2-yl]urea

C20H18N6OS — CID 166633309

IUPAC1-phenyl-3-[5-[2-(quinazolin-4-ylamino)ethyl]-1,3-thiazol-2-yl]urea
SMILESO=C(Nc1ccccc1)Nc1ncc(CCNc2ncnc3ccccc23)s1
InChIInChI=1S/C20H18N6OS/c27-19(25-14-6-2-1-3-7-14)26-20-22-12-15(28-20)10-11-21-18-16-8-4-5-9-17(16)23-13-24-18/h1-9,12-13H,10-11H2,(H,21,23,24)(H2,22,25,26,27)
InChIKeyFHXPGUMMAZLBLK-UHFFFAOYSA-N
MW390.47 g/mol
LogP4.38
Rot. Bonds6

About 1-phenyl-3-[5-[2-(quinazolin-4-ylamino)ethyl]-1,3-thiazol-2-yl]urea

1-phenyl-3-[5-[2-(quinazolin-4-ylamino)ethyl]-1,3-thiazol-2-yl]urea (PubChem CID 166633309) has the molecular formula C20H18N6OS and a molecular weight of 390.47 g/mol. Its IUPAC name is 1-phenyl-3-[5-[2-(quinazolin-4-ylamino)ethyl]-1,3-thiazol-2-yl]urea.

Molecular Properties

Compound Name1-phenyl-3-[5-[2-(quinazolin-4-ylamino)ethyl]-1,3-thiazol-2-yl]urea
PubChem CID166633309
Molecular FormulaC20H18N6OS
Molecular Weight390.47 g/mol
Exact Mass390.13
IUPAC Name1-phenyl-3-[5-[2-(quinazolin-4-ylamino)ethyl]-1,3-thiazol-2-yl]urea
SMILESO=C(Nc1ccccc1)Nc1ncc(CCNc2ncnc3ccccc23)s1
InChIInChI=1S/C20H18N6OS/c27-19(25-14-6-2-1-3-7-14)26-20-22-12-15(28-20)10-11-21-18-16-8-4-5-9-17(16)23-13-24-18/h1-9,12-13H,10-11H2,(H,21,23,24)(H2,22,25,26,27)
InChIKeyFHXPGUMMAZLBLK-UHFFFAOYSA-N
XLogP4.38
TPSA91.83 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.47
LogP ≤ 54.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 1-phenyl-3-[5-[2-(quinazolin-4-ylamino)ethyl]-1,3-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-phenyl-3-[5-[2-(quinazolin-4-ylamino)ethyl]-1,3-thiazol-2-yl]urea?
The IUPAC name of 1-phenyl-3-[5-[2-(quinazolin-4-ylamino)ethyl]-1,3-thiazol-2-yl]urea (CID 166633309) is 1-phenyl-3-[5-[2-(quinazolin-4-ylamino)ethyl]-1,3-thiazol-2-yl]urea.
What is the SMILES notation for 1-phenyl-3-[5-[2-(quinazolin-4-ylamino)ethyl]-1,3-thiazol-2-yl]urea?
The canonical SMILES for 1-phenyl-3-[5-[2-(quinazolin-4-ylamino)ethyl]-1,3-thiazol-2-yl]urea is O=C(Nc1ccccc1)Nc1ncc(CCNc2ncnc3ccccc23)s1.
What is the InChIKey of 1-phenyl-3-[5-[2-(quinazolin-4-ylamino)ethyl]-1,3-thiazol-2-yl]urea?
The InChIKey is FHXPGUMMAZLBLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N6OS/c27-19(25-14-6-2-1-3-7-14)26-20-22-12-15(28-20)10-11-21-18-16-8-4-5-9-17(16)23-13-24-18/h1-9,12-13H,10-11H2,(H,21,23,24)(H2,22,25,26,27).
What are the key properties of 1-phenyl-3-[5-[2-(quinazolin-4-ylamino)ethyl]-1,3-thiazol-2-yl]urea?
1-phenyl-3-[5-[2-(quinazolin-4-ylamino)ethyl]-1,3-thiazol-2-yl]urea has a molecular weight of 390.47 g/mol, XLogP of 4.38, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-3-[5-[2-(quinazolin-4-ylamino)ethyl]-1,3-thiazol-2-yl]urea is sourced from PubChem (CID 166633309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).