1-(2-chloro-4-pyridinyl)-3-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]urea

C15H10ClFN4OS — CID 152663942

IUPAC1-(2-chloro-4-pyridinyl)-3-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]urea
SMILESO=C(Nc1ccnc(Cl)c1)Nc1nc(-c2ccc(F)cc2)cs1
InChIInChI=1S/C15H10ClFN4OS/c16-13-7-11(5-6-18-13)19-14(22)21-15-20-12(8-23-15)9-1-3-10(17)4-2-9/h1-8H,(H2,18,19,20,21,22)
InChIKeyZKCWMLPIIVGTES-UHFFFAOYSA-N
MW348.79 g/mol
LogP4.64
Rot. Bonds3

About 1-(2-chloro-4-pyridinyl)-3-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]urea

1-(2-chloro-4-pyridinyl)-3-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]urea (PubChem CID 152663942) has the molecular formula C15H10ClFN4OS and a molecular weight of 348.79 g/mol. Its IUPAC name is 1-(2-chloro-4-pyridinyl)-3-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]urea.

Molecular Properties

Compound Name1-(2-chloro-4-pyridinyl)-3-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]urea
PubChem CID152663942
Molecular FormulaC15H10ClFN4OS
Molecular Weight348.79 g/mol
Exact Mass348.02
IUPAC Name1-(2-chloro-4-pyridinyl)-3-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]urea
SMILESO=C(Nc1ccnc(Cl)c1)Nc1nc(-c2ccc(F)cc2)cs1
InChIInChI=1S/C15H10ClFN4OS/c16-13-7-11(5-6-18-13)19-14(22)21-15-20-12(8-23-15)9-1-3-10(17)4-2-9/h1-8H,(H2,18,19,20,21,22)
InChIKeyZKCWMLPIIVGTES-UHFFFAOYSA-N
XLogP4.64
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.79
LogP ≤ 54.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

1-(3,4-dichlorophenyl)-3-[4-(4-iodophenyl)-1,3-thiazol-2-yl]urea
CID 121080352
1-(3,4-dichlorophenyl)-3-(4-phenyl-1,3-thiazol-2-yl)urea
CID 978585
2-chloro-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]acetamide
CID 1133114
1-phenyl-3-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]urea
CID 4274968
1-(2-chloro-4-pyridinyl)-3-(3,4,5-trifluorophenyl)urea
CID 150183067
1,3-bis(4-phenyl-1,3-thiazol-2-yl)urea
CID 13089293
1-(3-methoxyphenyl)-3-[4-(4-methylphenyl)-1,3-thiazol-2-yl]urea
CID 4519858
N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-[4-(2-methyl-4-pyridinyl)phenyl]acetamide
CID 46927797
1-(3-chlorophenyl)-3-[4-(4-nitrophenyl)-1,3-thiazol-2-yl]urea
CID 4078223
3-chloro-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2,2-dimethylpropanamide
CID 63679014
1-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-3-(2-methoxyethyl)urea
CID 45497113
3-(3,4-dichlorophenyl)-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]prop-2-enamide
CID 4609730

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-4-pyridinyl)-3-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]urea?
The IUPAC name of 1-(2-chloro-4-pyridinyl)-3-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]urea (CID 152663942) is 1-(2-chloro-4-pyridinyl)-3-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]urea.
What is the SMILES notation for 1-(2-chloro-4-pyridinyl)-3-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]urea?
The canonical SMILES for 1-(2-chloro-4-pyridinyl)-3-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]urea is O=C(Nc1ccnc(Cl)c1)Nc1nc(-c2ccc(F)cc2)cs1.
What is the InChIKey of 1-(2-chloro-4-pyridinyl)-3-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]urea?
The InChIKey is ZKCWMLPIIVGTES-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10ClFN4OS/c16-13-7-11(5-6-18-13)19-14(22)21-15-20-12(8-23-15)9-1-3-10(17)4-2-9/h1-8H,(H2,18,19,20,21,22).
What are the key properties of 1-(2-chloro-4-pyridinyl)-3-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]urea?
1-(2-chloro-4-pyridinyl)-3-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]urea has a molecular weight of 348.79 g/mol, XLogP of 4.64, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-4-pyridinyl)-3-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]urea is sourced from PubChem (CID 152663942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).