1-(4-fluorophenyl)-3-(2-methyl-6-thiophen-2-yl-3-pyridinyl)urea

C17H14FN3OS — CID 155815627

IUPAC1-(4-fluorophenyl)-3-(2-methyl-6-thiophen-2-yl-3-pyridinyl)urea
SMILESCc1nc(-c2cccs2)ccc1NC(=O)Nc1ccc(F)cc1
InChIInChI=1S/C17H14FN3OS/c1-11-14(8-9-15(19-11)16-3-2-10-23-16)21-17(22)20-13-6-4-12(18)5-7-13/h2-10H,1H3,(H2,20,21,22)
InChIKeyBRPBKBILQAASLD-UHFFFAOYSA-N
MW327.38 g/mol
LogP4.90
Rot. Bonds3

About 1-(4-fluorophenyl)-3-(2-methyl-6-thiophen-2-yl-3-pyridinyl)urea

1-(4-fluorophenyl)-3-(2-methyl-6-thiophen-2-yl-3-pyridinyl)urea (PubChem CID 155815627) has the molecular formula C17H14FN3OS and a molecular weight of 327.38 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-3-(2-methyl-6-thiophen-2-yl-3-pyridinyl)urea.

Molecular Properties

Compound Name1-(4-fluorophenyl)-3-(2-methyl-6-thiophen-2-yl-3-pyridinyl)urea
PubChem CID155815627
Molecular FormulaC17H14FN3OS
Molecular Weight327.38 g/mol
Exact Mass327.08
IUPAC Name1-(4-fluorophenyl)-3-(2-methyl-6-thiophen-2-yl-3-pyridinyl)urea
SMILESCc1nc(-c2cccs2)ccc1NC(=O)Nc1ccc(F)cc1
InChIInChI=1S/C17H14FN3OS/c1-11-14(8-9-15(19-11)16-3-2-10-23-16)21-17(22)20-13-6-4-12(18)5-7-13/h2-10H,1H3,(H2,20,21,22)
InChIKeyBRPBKBILQAASLD-UHFFFAOYSA-N
XLogP4.90
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 54.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(6-bromo-2-methyl-3-pyridinyl)-3-(4-fluorophenyl)urea
CID 166636722
1-(4-fluorophenyl)-3-[2-(2-methyl-1,3-thiazol-4-yl)phenyl]urea
CID 90626921
N-(4-fluorophenyl)-6,8-dimethyl-2-thiophen-2-ylquinoline-4-carboxamide
CID 19647708
1-(2-methyl-6-thiophen-2-yl-3-pyridinyl)ethanone
CID 66490371
1-(4-fluorophenyl)-3-[(4-methylphenyl)-thiophen-2-ylmethyl]urea
CID 17499433
2-amino-N-(4-fluorophenyl)-2-thiophen-2-ylacetamide
CID 115285922
N-(4-fluoro-2-methylphenyl)-5-thiophen-2-yl-1H-pyrazole-3-carboxamide
CID 55741810
N-(4-fluorophenyl)-2-oxo-6-thiophen-2-yl-1H-pyrimidine-4-carboxamide
CID 110332039
N-(4-fluoro-2-methylphenyl)-2-(5-sulfanylidene-3-thiophen-2-yl-1H-1,2,4-triazol-4-yl)propanamide
CID 75418669
1-(1,3-dimethylpyrazol-4-yl)-3-(4-fluorophenyl)urea
CID 2811435
1-(2-bromophenyl)-3-(4-fluorophenyl)urea
CID 835097
1-[4-(1,3-benzothiazol-2-yl)-2-methylphenyl]-3-(4-fluorophenyl)urea
CID 46381228

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-3-(2-methyl-6-thiophen-2-yl-3-pyridinyl)urea?
The IUPAC name of 1-(4-fluorophenyl)-3-(2-methyl-6-thiophen-2-yl-3-pyridinyl)urea (CID 155815627) is 1-(4-fluorophenyl)-3-(2-methyl-6-thiophen-2-yl-3-pyridinyl)urea.
What is the SMILES notation for 1-(4-fluorophenyl)-3-(2-methyl-6-thiophen-2-yl-3-pyridinyl)urea?
The canonical SMILES for 1-(4-fluorophenyl)-3-(2-methyl-6-thiophen-2-yl-3-pyridinyl)urea is Cc1nc(-c2cccs2)ccc1NC(=O)Nc1ccc(F)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-3-(2-methyl-6-thiophen-2-yl-3-pyridinyl)urea?
The InChIKey is BRPBKBILQAASLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14FN3OS/c1-11-14(8-9-15(19-11)16-3-2-10-23-16)21-17(22)20-13-6-4-12(18)5-7-13/h2-10H,1H3,(H2,20,21,22).
What are the key properties of 1-(4-fluorophenyl)-3-(2-methyl-6-thiophen-2-yl-3-pyridinyl)urea?
1-(4-fluorophenyl)-3-(2-methyl-6-thiophen-2-yl-3-pyridinyl)urea has a molecular weight of 327.38 g/mol, XLogP of 4.90, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-3-(2-methyl-6-thiophen-2-yl-3-pyridinyl)urea is sourced from PubChem (CID 155815627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).