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

C17H11FN6OS — CID 176859446

IUPACN-[4-(5-fluoro-2-pyridinyl)-1,3-thiazol-2-yl]-3-pyridin-4-ylimidazole-4-carboxamide
SMILESO=C(Nc1nc(-c2ccc(F)cn2)cs1)c1cncn1-c1ccncc1
InChIInChI=1S/C17H11FN6OS/c18-11-1-2-13(21-7-11)14-9-26-17(22-14)23-16(25)15-8-20-10-24(15)12-3-5-19-6-4-12/h1-10H,(H,22,23,25)
InChIKeyRBAVPRDZESLGQT-UHFFFAOYSA-N
MW366.38 g/mol
LogP3.18
Rot. Bonds4

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

N-[4-(5-fluoro-2-pyridinyl)-1,3-thiazol-2-yl]-3-pyridin-4-ylimidazole-4-carboxamide (PubChem CID 176859446) has the molecular formula C17H11FN6OS and a molecular weight of 366.38 g/mol. Its IUPAC name is N-[4-(5-fluoro-2-pyridinyl)-1,3-thiazol-2-yl]-3-pyridin-4-ylimidazole-4-carboxamide.

Molecular Properties

Compound NameN-[4-(5-fluoro-2-pyridinyl)-1,3-thiazol-2-yl]-3-pyridin-4-ylimidazole-4-carboxamide
PubChem CID176859446
Molecular FormulaC17H11FN6OS
Molecular Weight366.38 g/mol
Exact Mass366.07
IUPAC NameN-[4-(5-fluoro-2-pyridinyl)-1,3-thiazol-2-yl]-3-pyridin-4-ylimidazole-4-carboxamide
SMILESO=C(Nc1nc(-c2ccc(F)cn2)cs1)c1cncn1-c1ccncc1
InChIInChI=1S/C17H11FN6OS/c18-11-1-2-13(21-7-11)14-9-26-17(22-14)23-16(25)15-8-20-10-24(15)12-3-5-19-6-4-12/h1-10H,(H,22,23,25)
InChIKeyRBAVPRDZESLGQT-UHFFFAOYSA-N
XLogP3.18
TPSA85.59 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.38
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

3-(4-fluorophenyl)-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)imidazole-4-carboxamide
CID 18127545
N-[4-(5-methoxy-2-pyridinyl)-1,3-thiazol-2-yl]-3-phenylimidazole-4-carboxamide
CID 176859832
N-[4-(5-ethoxy-2-pyridinyl)-1,3-thiazol-2-yl]-3-pyridin-3-ylimidazole-4-carboxamide
CID 176858480
N-[4-(6-methoxy-2-pyridinyl)-1,3-thiazol-2-yl]-3-phenylimidazole-4-carboxamide
CID 176859684
N-[4-(3-fluoro-4-methoxyphenyl)-1,3-thiazol-2-yl]-3-phenylimidazole-4-carboxamide
CID 60592826
N-[5-methyl-4-(6-methyl-2-pyridinyl)-1,3-thiazol-2-yl]-3-pyridin-4-ylimidazole-4-carboxamide
CID 176858658
1-benzyl-5-chloro-N-[4-(5-fluoro-2-pyridinyl)-1,3-thiazol-2-yl]-3-methylpyrazole-4-carboxamide
CID 176858676
1-[(3,5-dimethylphenyl)methyl]-N-[4-(5-fluoro-2-pyridinyl)-1,3-thiazol-2-yl]-6-oxopyridine-3-carboxamide
CID 176859492
N-[4-(5-fluoro-2-pyridinyl)-1,3-thiazol-2-yl]-6-oxo-1-(pyridin-2-ylmethyl)pyridine-3-carboxamide
CID 176859635
3-pyridin-4-yl-N-(4-quinolin-2-yl-1,3-thiazol-2-yl)triazole-4-carboxamide
CID 176859666
2,5-dimethyl-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)pyrazole-3-carboxamide
CID 16952767
N-[4-[6-[6-[2-[(4-fluorobenzoyl)amino]-1,3-thiazol-4-yl]-3-pyridinyl]-2-pyridinyl]-1,3-thiazol-2-yl]quinoxaline-6-carboxamide
CID 129301562

Frequently Asked Questions

What is the IUPAC name of N-[4-(5-fluoro-2-pyridinyl)-1,3-thiazol-2-yl]-3-pyridin-4-ylimidazole-4-carboxamide?
The IUPAC name of N-[4-(5-fluoro-2-pyridinyl)-1,3-thiazol-2-yl]-3-pyridin-4-ylimidazole-4-carboxamide (CID 176859446) is N-[4-(5-fluoro-2-pyridinyl)-1,3-thiazol-2-yl]-3-pyridin-4-ylimidazole-4-carboxamide.
What is the SMILES notation for N-[4-(5-fluoro-2-pyridinyl)-1,3-thiazol-2-yl]-3-pyridin-4-ylimidazole-4-carboxamide?
The canonical SMILES for N-[4-(5-fluoro-2-pyridinyl)-1,3-thiazol-2-yl]-3-pyridin-4-ylimidazole-4-carboxamide is O=C(Nc1nc(-c2ccc(F)cn2)cs1)c1cncn1-c1ccncc1.
What is the InChIKey of N-[4-(5-fluoro-2-pyridinyl)-1,3-thiazol-2-yl]-3-pyridin-4-ylimidazole-4-carboxamide?
The InChIKey is RBAVPRDZESLGQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11FN6OS/c18-11-1-2-13(21-7-11)14-9-26-17(22-14)23-16(25)15-8-20-10-24(15)12-3-5-19-6-4-12/h1-10H,(H,22,23,25).
What are the key properties of N-[4-(5-fluoro-2-pyridinyl)-1,3-thiazol-2-yl]-3-pyridin-4-ylimidazole-4-carboxamide?
N-[4-(5-fluoro-2-pyridinyl)-1,3-thiazol-2-yl]-3-pyridin-4-ylimidazole-4-carboxamide has a molecular weight of 366.38 g/mol, XLogP of 3.18, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(5-fluoro-2-pyridinyl)-1,3-thiazol-2-yl]-3-pyridin-4-ylimidazole-4-carboxamide is sourced from PubChem (CID 176859446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).