1-(3-chlorophenyl)-3-[5-[2-[(7-fluoroquinazolin-4-yl)amino]ethyl]-1,3-thiazol-2-yl]urea

C20H16ClFN6OS — CID 164622311

IUPAC1-(3-chlorophenyl)-3-[5-[2-[(7-fluoroquinazolin-4-yl)amino]ethyl]-1,3-thiazol-2-yl]urea
SMILESO=C(Nc1cccc(Cl)c1)Nc1ncc(CCNc2ncnc3cc(F)ccc23)s1
InChIInChI=1S/C20H16ClFN6OS/c21-12-2-1-3-14(8-12)27-19(29)28-20-24-10-15(30-20)6-7-23-18-16-5-4-13(22)9-17(16)25-11-26-18/h1-5,8-11H,6-7H2,(H,23,25,26)(H2,24,27,28,29)
InChIKeyLPQVMJBOZXWART-UHFFFAOYSA-N
MW442.91 g/mol
LogP5.18
Rot. Bonds6

About 1-(3-chlorophenyl)-3-[5-[2-[(7-fluoroquinazolin-4-yl)amino]ethyl]-1,3-thiazol-2-yl]urea

1-(3-chlorophenyl)-3-[5-[2-[(7-fluoroquinazolin-4-yl)amino]ethyl]-1,3-thiazol-2-yl]urea (PubChem CID 164622311) has the molecular formula C20H16ClFN6OS and a molecular weight of 442.91 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-3-[5-[2-[(7-fluoroquinazolin-4-yl)amino]ethyl]-1,3-thiazol-2-yl]urea.

Molecular Properties

Compound Name1-(3-chlorophenyl)-3-[5-[2-[(7-fluoroquinazolin-4-yl)amino]ethyl]-1,3-thiazol-2-yl]urea
PubChem CID164622311
Molecular FormulaC20H16ClFN6OS
Molecular Weight442.91 g/mol
Exact Mass442.08
IUPAC Name1-(3-chlorophenyl)-3-[5-[2-[(7-fluoroquinazolin-4-yl)amino]ethyl]-1,3-thiazol-2-yl]urea
SMILESO=C(Nc1cccc(Cl)c1)Nc1ncc(CCNc2ncnc3cc(F)ccc23)s1
InChIInChI=1S/C20H16ClFN6OS/c21-12-2-1-3-14(8-12)27-19(29)28-20-24-10-15(30-20)6-7-23-18-16-5-4-13(22)9-17(16)25-11-26-18/h1-5,8-11H,6-7H2,(H,23,25,26)(H2,24,27,28,29)
InChIKeyLPQVMJBOZXWART-UHFFFAOYSA-N
XLogP5.18
TPSA91.83 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500442.91
LogP ≤ 55.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 1-(3-chlorophenyl)-3-[5-[2-[(7-fluoroquinazolin-4-yl)amino]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-(3-chlorophenyl)-3-[5-[2-[(7-fluoroquinazolin-4-yl)amino]ethyl]-1,3-thiazol-2-yl]urea?
The IUPAC name of 1-(3-chlorophenyl)-3-[5-[2-[(7-fluoroquinazolin-4-yl)amino]ethyl]-1,3-thiazol-2-yl]urea (CID 164622311) is 1-(3-chlorophenyl)-3-[5-[2-[(7-fluoroquinazolin-4-yl)amino]ethyl]-1,3-thiazol-2-yl]urea.
What is the SMILES notation for 1-(3-chlorophenyl)-3-[5-[2-[(7-fluoroquinazolin-4-yl)amino]ethyl]-1,3-thiazol-2-yl]urea?
The canonical SMILES for 1-(3-chlorophenyl)-3-[5-[2-[(7-fluoroquinazolin-4-yl)amino]ethyl]-1,3-thiazol-2-yl]urea is O=C(Nc1cccc(Cl)c1)Nc1ncc(CCNc2ncnc3cc(F)ccc23)s1.
What is the InChIKey of 1-(3-chlorophenyl)-3-[5-[2-[(7-fluoroquinazolin-4-yl)amino]ethyl]-1,3-thiazol-2-yl]urea?
The InChIKey is LPQVMJBOZXWART-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16ClFN6OS/c21-12-2-1-3-14(8-12)27-19(29)28-20-24-10-15(30-20)6-7-23-18-16-5-4-13(22)9-17(16)25-11-26-18/h1-5,8-11H,6-7H2,(H,23,25,26)(H2,24,27,28,29).
What are the key properties of 1-(3-chlorophenyl)-3-[5-[2-[(7-fluoroquinazolin-4-yl)amino]ethyl]-1,3-thiazol-2-yl]urea?
1-(3-chlorophenyl)-3-[5-[2-[(7-fluoroquinazolin-4-yl)amino]ethyl]-1,3-thiazol-2-yl]urea has a molecular weight of 442.91 g/mol, XLogP of 5.18, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-3-[5-[2-[(7-fluoroquinazolin-4-yl)amino]ethyl]-1,3-thiazol-2-yl]urea is sourced from PubChem (CID 164622311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).