1-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-3-[(1-pyridin-3-yltriazol-4-yl)methyl]urea

C18H14FN7OS — CID 121198118

IUPAC1-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-3-[(1-pyridin-3-yltriazol-4-yl)methyl]urea
SMILESO=C(NCc1cn(-c2cccnc2)nn1)Nc1nc(-c2ccc(F)cc2)cs1
InChIInChI=1S/C18H14FN7OS/c19-13-5-3-12(4-6-13)16-11-28-18(22-16)23-17(27)21-8-14-10-26(25-24-14)15-2-1-7-20-9-15/h1-7,9-11H,8H2,(H2,21,22,23,27)
InChIKeyIMZYILAXCOUVIH-UHFFFAOYSA-N
MW395.42 g/mol
LogP3.25
Rot. Bonds5

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

1-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-3-[(1-pyridin-3-yltriazol-4-yl)methyl]urea (PubChem CID 121198118) has the molecular formula C18H14FN7OS and a molecular weight of 395.42 g/mol. Its IUPAC name is 1-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-3-[(1-pyridin-3-yltriazol-4-yl)methyl]urea.

Molecular Properties

Compound Name1-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-3-[(1-pyridin-3-yltriazol-4-yl)methyl]urea
PubChem CID121198118
Molecular FormulaC18H14FN7OS
Molecular Weight395.42 g/mol
Exact Mass395.10
IUPAC Name1-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-3-[(1-pyridin-3-yltriazol-4-yl)methyl]urea
SMILESO=C(NCc1cn(-c2cccnc2)nn1)Nc1nc(-c2ccc(F)cc2)cs1
InChIInChI=1S/C18H14FN7OS/c19-13-5-3-12(4-6-13)16-11-28-18(22-16)23-17(27)21-8-14-10-26(25-24-14)15-2-1-7-20-9-15/h1-7,9-11H,8H2,(H2,21,22,23,27)
InChIKeyIMZYILAXCOUVIH-UHFFFAOYSA-N
XLogP3.25
TPSA97.62 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.42
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 1-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-3-[(1-pyridin-3-yltriazol-4-yl)methyl]urea with MolForge

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Related Compounds

1-pyridin-3-yl-3-[(1-pyridin-3-yltriazol-4-yl)methyl]urea
CID 121198111
1-(4-methylphenyl)-3-[(1-pyridin-3-yltriazol-4-yl)methyl]urea
CID 121198151
1-(1-adamantyl)-3-[(1-pyridin-3-yltriazol-4-yl)methyl]urea
CID 121198143
3-(4-fluorophenyl)-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)imidazole-4-carboxamide
CID 18127545
N-[(1-pyridin-3-yltriazol-4-yl)methyl]cyclohexanecarboxamide
CID 121198002
1-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-3-(2-methoxyethyl)urea
CID 45497113
N-[(1-pyridin-3-yltriazol-4-yl)methyl]-3,5-bis(trifluoromethyl)benzamide
CID 121198065
methyl 2-(1-pyridin-3-yltriazol-4-yl)acetate
CID 166390284
4-(4-fluorobenzoyl)-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)piperazine-1-carboxamide
CID 78875156
2-indol-1-yl-N-[(1-pyridin-3-yltriazol-4-yl)methyl]acetamide
CID 121197954
N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide
CID 38868649
1-[(4-methylphenyl)methyl]-3-(4-pyridin-4-yl-1,3-thiazol-2-yl)urea
CID 87405083

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-3-[(1-pyridin-3-yltriazol-4-yl)methyl]urea?
The IUPAC name of 1-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-3-[(1-pyridin-3-yltriazol-4-yl)methyl]urea (CID 121198118) is 1-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-3-[(1-pyridin-3-yltriazol-4-yl)methyl]urea.
What is the SMILES notation for 1-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-3-[(1-pyridin-3-yltriazol-4-yl)methyl]urea?
The canonical SMILES for 1-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-3-[(1-pyridin-3-yltriazol-4-yl)methyl]urea is O=C(NCc1cn(-c2cccnc2)nn1)Nc1nc(-c2ccc(F)cc2)cs1.
What is the InChIKey of 1-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-3-[(1-pyridin-3-yltriazol-4-yl)methyl]urea?
The InChIKey is IMZYILAXCOUVIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14FN7OS/c19-13-5-3-12(4-6-13)16-11-28-18(22-16)23-17(27)21-8-14-10-26(25-24-14)15-2-1-7-20-9-15/h1-7,9-11H,8H2,(H2,21,22,23,27).
What are the key properties of 1-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-3-[(1-pyridin-3-yltriazol-4-yl)methyl]urea?
1-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-3-[(1-pyridin-3-yltriazol-4-yl)methyl]urea has a molecular weight of 395.42 g/mol, XLogP of 3.25, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-3-[(1-pyridin-3-yltriazol-4-yl)methyl]urea is sourced from PubChem (CID 121198118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).