5-(4-fluorophenyl)-N-[4-(4-fluoro-2-pyridinyl)-1,3-thiazol-2-yl]-2-methyltriazole-4-carboxamide

C18H12F2N6OS — CID 176859356

IUPAC5-(4-fluorophenyl)-N-[4-(4-fluoro-2-pyridinyl)-1,3-thiazol-2-yl]-2-methyltriazole-4-carboxamide
SMILESCn1nc(C(=O)Nc2nc(-c3cc(F)ccn3)cs2)c(-c2ccc(F)cc2)n1
InChIInChI=1S/C18H12F2N6OS/c1-26-24-15(10-2-4-11(19)5-3-10)16(25-26)17(27)23-18-22-14(9-28-18)13-8-12(20)6-7-21-13/h2-9H,1H3,(H,22,23,27)
InChIKeyFCYXCMADUSGRJF-UHFFFAOYSA-N
MW398.40 g/mol
LogP3.53
Rot. Bonds4

About 5-(4-fluorophenyl)-N-[4-(4-fluoro-2-pyridinyl)-1,3-thiazol-2-yl]-2-methyltriazole-4-carboxamide

5-(4-fluorophenyl)-N-[4-(4-fluoro-2-pyridinyl)-1,3-thiazol-2-yl]-2-methyltriazole-4-carboxamide (PubChem CID 176859356) has the molecular formula C18H12F2N6OS and a molecular weight of 398.40 g/mol. Its IUPAC name is 5-(4-fluorophenyl)-N-[4-(4-fluoro-2-pyridinyl)-1,3-thiazol-2-yl]-2-methyltriazole-4-carboxamide.

Molecular Properties

Compound Name5-(4-fluorophenyl)-N-[4-(4-fluoro-2-pyridinyl)-1,3-thiazol-2-yl]-2-methyltriazole-4-carboxamide
PubChem CID176859356
Molecular FormulaC18H12F2N6OS
Molecular Weight398.40 g/mol
Exact Mass398.08
IUPAC Name5-(4-fluorophenyl)-N-[4-(4-fluoro-2-pyridinyl)-1,3-thiazol-2-yl]-2-methyltriazole-4-carboxamide
SMILESCn1nc(C(=O)Nc2nc(-c3cc(F)ccn3)cs2)c(-c2ccc(F)cc2)n1
InChIInChI=1S/C18H12F2N6OS/c1-26-24-15(10-2-4-11(19)5-3-10)16(25-26)17(27)23-18-22-14(9-28-18)13-8-12(20)6-7-21-13/h2-9H,1H3,(H,22,23,27)
InChIKeyFCYXCMADUSGRJF-UHFFFAOYSA-N
XLogP3.53
TPSA85.59 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.40
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[4-(4-fluoro-2-pyridinyl)-1,3-thiazol-2-yl]-2-(4-methoxyphenyl)pyridine-3-carboxamide
CID 176859765
3-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]carbamoyl]-1-methylpyrazole-4-carboxylic acid
CID 29095813
4-(4-fluorophenyl)-2-methyl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)-1,3-oxazole-5-carboxamide
CID 176859167
N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2,5-dimethylpyrazole-3-carboxamide
CID 16809683
5-(4-fluorophenyl)-2-methyl-N-[5-methyl-4-(6-methyl-2-pyridinyl)-1,3-thiazol-2-yl]triazole-4-carboxamide
CID 176859980
N-[4-(4-cyano-2-pyridinyl)-1,3-thiazol-2-yl]-4-(4-fluorophenyl)-1,3-oxazole-5-carboxamide
CID 176859861
N-[4-(4-fluoro-2-pyridinyl)-1,3-thiazol-2-yl]-1-[(4-methylphenyl)methyl]-2-oxopyridine-4-carboxamide
CID 176859571
1-(2-fluorophenyl)-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-6-methyl-4-oxopyridazine-3-carboxamide
CID 26693950
N-[4-(2-chloro-4-fluorophenyl)-1,3-thiazol-2-yl]pyridine-2-carboxamide
CID 17404608
N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-2-fluoropyridine-4-carboxamide
CID 52733543
2,5-difluoro-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]benzamide
CID 46667765
2-(4-fluorophenyl)-4-methyl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)-1,3-thiazole-5-carboxamide
CID 41164251

Frequently Asked Questions

What is the IUPAC name of 5-(4-fluorophenyl)-N-[4-(4-fluoro-2-pyridinyl)-1,3-thiazol-2-yl]-2-methyltriazole-4-carboxamide?
The IUPAC name of 5-(4-fluorophenyl)-N-[4-(4-fluoro-2-pyridinyl)-1,3-thiazol-2-yl]-2-methyltriazole-4-carboxamide (CID 176859356) is 5-(4-fluorophenyl)-N-[4-(4-fluoro-2-pyridinyl)-1,3-thiazol-2-yl]-2-methyltriazole-4-carboxamide.
What is the SMILES notation for 5-(4-fluorophenyl)-N-[4-(4-fluoro-2-pyridinyl)-1,3-thiazol-2-yl]-2-methyltriazole-4-carboxamide?
The canonical SMILES for 5-(4-fluorophenyl)-N-[4-(4-fluoro-2-pyridinyl)-1,3-thiazol-2-yl]-2-methyltriazole-4-carboxamide is Cn1nc(C(=O)Nc2nc(-c3cc(F)ccn3)cs2)c(-c2ccc(F)cc2)n1.
What is the InChIKey of 5-(4-fluorophenyl)-N-[4-(4-fluoro-2-pyridinyl)-1,3-thiazol-2-yl]-2-methyltriazole-4-carboxamide?
The InChIKey is FCYXCMADUSGRJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12F2N6OS/c1-26-24-15(10-2-4-11(19)5-3-10)16(25-26)17(27)23-18-22-14(9-28-18)13-8-12(20)6-7-21-13/h2-9H,1H3,(H,22,23,27).
What are the key properties of 5-(4-fluorophenyl)-N-[4-(4-fluoro-2-pyridinyl)-1,3-thiazol-2-yl]-2-methyltriazole-4-carboxamide?
5-(4-fluorophenyl)-N-[4-(4-fluoro-2-pyridinyl)-1,3-thiazol-2-yl]-2-methyltriazole-4-carboxamide has a molecular weight of 398.40 g/mol, XLogP of 3.53, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluorophenyl)-N-[4-(4-fluoro-2-pyridinyl)-1,3-thiazol-2-yl]-2-methyltriazole-4-carboxamide is sourced from PubChem (CID 176859356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).