1-[4-(4-fluorophenyl)-1,3-thiazol-5-yl]-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]urea

C14H12FN5O2S — CID 71921007

IUPAC1-[4-(4-fluorophenyl)-1,3-thiazol-5-yl]-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]urea
SMILESCc1nc(CNC(=O)Nc2scnc2-c2ccc(F)cc2)no1
InChIInChI=1S/C14H12FN5O2S/c1-8-18-11(20-22-8)6-16-14(21)19-13-12(17-7-23-13)9-2-4-10(15)5-3-9/h2-5,7H,6H2,1H3,(H2,16,19,21)
InChIKeyAGASYFQPKGHCCB-UHFFFAOYSA-N
MW333.35 g/mol
LogP2.96
Rot. Bonds4

About 1-[4-(4-fluorophenyl)-1,3-thiazol-5-yl]-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]urea

1-[4-(4-fluorophenyl)-1,3-thiazol-5-yl]-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]urea (PubChem CID 71921007) has the molecular formula C14H12FN5O2S and a molecular weight of 333.35 g/mol. Its IUPAC name is 1-[4-(4-fluorophenyl)-1,3-thiazol-5-yl]-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]urea.

Molecular Properties

Compound Name1-[4-(4-fluorophenyl)-1,3-thiazol-5-yl]-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]urea
PubChem CID71921007
Molecular FormulaC14H12FN5O2S
Molecular Weight333.35 g/mol
Exact Mass333.07
IUPAC Name1-[4-(4-fluorophenyl)-1,3-thiazol-5-yl]-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]urea
SMILESCc1nc(CNC(=O)Nc2scnc2-c2ccc(F)cc2)no1
InChIInChI=1S/C14H12FN5O2S/c1-8-18-11(20-22-8)6-16-14(21)19-13-12(17-7-23-13)9-2-4-10(15)5-3-9/h2-5,7H,6H2,1H3,(H2,16,19,21)
InChIKeyAGASYFQPKGHCCB-UHFFFAOYSA-N
XLogP2.96
TPSA92.94 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.35
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-Methyl-N-[5-(5-methyl-[1,2,4]oxadiazol-3-yl)-4-phenyl-thiazol-2-yl]-butyramide
CID 11573708
Cyclopropanecarboxylic acid [5-(5-methyl-[1,2,4]oxadiazol-3-yl)-4-phenyl-thiazol-2-yl]-amide
CID 11638430
Cyclopropanecarboxylic acid(5-[1,2,4]oxadiazol-3-yl-4-phenyl-thiazol-2-yl)-amide
CID 11674018
N-[5-(5-methyl-[1,2,4]oxadiazol-3-yl)-4-phenyl-thiazol-2-yl]acetamide
CID 11688036
3-Methyl-N-(5-[1,2,4]oxadiazol-3-yl-4-phenyl-thiazol-2-yl)-butyramide
CID 49864731
N-[[4-(4-fluorophenyl)-5-(4-methyl-1,3-thiazol-2-yl)-1H-imidazol-2-yl]methyl]butanamide
CID 136042377
N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-2-(2-nitroimidazol-1-yl)acetamide
CID 118732531
1-[[2-(Methylamino)-1,3-thiazol-4-yl]methyl]-3-[2-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]urea
CID 75425287
2-(2-acetamidothiazol-4-yl)-N-((3-phenyl-1,2,4-oxadiazol-5-yl)methyl)acetamide
CID 49679307
N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-[[5-(4-fluorophenyl)-1H-imidazol-2-yl]sulfanyl]acetamide
CID 1451029
N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-(1-methylimidazol-2-yl)sulfanylacetamide
CID 6473371
1-[(2-Fluorophenyl)-(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-3-(5-methyl-1,3-thiazol-2-yl)urea
CID 71857416

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-fluorophenyl)-1,3-thiazol-5-yl]-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]urea?
The IUPAC name of 1-[4-(4-fluorophenyl)-1,3-thiazol-5-yl]-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]urea (CID 71921007) is 1-[4-(4-fluorophenyl)-1,3-thiazol-5-yl]-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]urea.
What is the SMILES notation for 1-[4-(4-fluorophenyl)-1,3-thiazol-5-yl]-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]urea?
The canonical SMILES for 1-[4-(4-fluorophenyl)-1,3-thiazol-5-yl]-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]urea is Cc1nc(CNC(=O)Nc2scnc2-c2ccc(F)cc2)no1.
What is the InChIKey of 1-[4-(4-fluorophenyl)-1,3-thiazol-5-yl]-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]urea?
The InChIKey is AGASYFQPKGHCCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12FN5O2S/c1-8-18-11(20-22-8)6-16-14(21)19-13-12(17-7-23-13)9-2-4-10(15)5-3-9/h2-5,7H,6H2,1H3,(H2,16,19,21).
What are the key properties of 1-[4-(4-fluorophenyl)-1,3-thiazol-5-yl]-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]urea?
1-[4-(4-fluorophenyl)-1,3-thiazol-5-yl]-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]urea has a molecular weight of 333.35 g/mol, XLogP of 2.96, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-fluorophenyl)-1,3-thiazol-5-yl]-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]urea is sourced from PubChem (CID 71921007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).