N-(5-fluoro-2-pyridinyl)-2-methyl-5-(pyridin-3-ylamino)-1,3-thiazole-4-carboxamide

C15H12FN5OS — CID 11667061

IUPACN-(5-fluoro-2-pyridinyl)-2-methyl-5-(pyridin-3-ylamino)-1,3-thiazole-4-carboxamide
SMILESCc1nc(C(=O)Nc2ccc(F)cn2)c(Nc2cccnc2)s1
InChIInChI=1S/C15H12FN5OS/c1-9-19-13(14(22)21-12-5-4-10(16)7-18-12)15(23-9)20-11-3-2-6-17-8-11/h2-8,20H,1H3,(H,18,21,22)
InChIKeyJPQIXGUAUXCORL-UHFFFAOYSA-N
MW329.36 g/mol
LogP3.38
Rot. Bonds4

About N-(5-fluoro-2-pyridinyl)-2-methyl-5-(pyridin-3-ylamino)-1,3-thiazole-4-carboxamide

N-(5-fluoro-2-pyridinyl)-2-methyl-5-(pyridin-3-ylamino)-1,3-thiazole-4-carboxamide (PubChem CID 11667061) has the molecular formula C15H12FN5OS and a molecular weight of 329.36 g/mol. Its IUPAC name is N-(5-fluoro-2-pyridinyl)-2-methyl-5-(pyridin-3-ylamino)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-(5-fluoro-2-pyridinyl)-2-methyl-5-(pyridin-3-ylamino)-1,3-thiazole-4-carboxamide
PubChem CID11667061
Molecular FormulaC15H12FN5OS
Molecular Weight329.36 g/mol
Exact Mass329.07
IUPAC NameN-(5-fluoro-2-pyridinyl)-2-methyl-5-(pyridin-3-ylamino)-1,3-thiazole-4-carboxamide
SMILESCc1nc(C(=O)Nc2ccc(F)cn2)c(Nc2cccnc2)s1
InChIInChI=1S/C15H12FN5OS/c1-9-19-13(14(22)21-12-5-4-10(16)7-18-12)15(23-9)20-11-3-2-6-17-8-11/h2-8,20H,1H3,(H,18,21,22)
InChIKeyJPQIXGUAUXCORL-UHFFFAOYSA-N
XLogP3.38
TPSA79.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.36
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(5-fluoro-2-pyridinyl)-2-methyl-5-(pyridin-3-ylamino)-1,3-thiazole-4-carboxamide?
The IUPAC name of N-(5-fluoro-2-pyridinyl)-2-methyl-5-(pyridin-3-ylamino)-1,3-thiazole-4-carboxamide (CID 11667061) is N-(5-fluoro-2-pyridinyl)-2-methyl-5-(pyridin-3-ylamino)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-(5-fluoro-2-pyridinyl)-2-methyl-5-(pyridin-3-ylamino)-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-(5-fluoro-2-pyridinyl)-2-methyl-5-(pyridin-3-ylamino)-1,3-thiazole-4-carboxamide is Cc1nc(C(=O)Nc2ccc(F)cn2)c(Nc2cccnc2)s1.
What is the InChIKey of N-(5-fluoro-2-pyridinyl)-2-methyl-5-(pyridin-3-ylamino)-1,3-thiazole-4-carboxamide?
The InChIKey is JPQIXGUAUXCORL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12FN5OS/c1-9-19-13(14(22)21-12-5-4-10(16)7-18-12)15(23-9)20-11-3-2-6-17-8-11/h2-8,20H,1H3,(H,18,21,22).
What are the key properties of N-(5-fluoro-2-pyridinyl)-2-methyl-5-(pyridin-3-ylamino)-1,3-thiazole-4-carboxamide?
N-(5-fluoro-2-pyridinyl)-2-methyl-5-(pyridin-3-ylamino)-1,3-thiazole-4-carboxamide has a molecular weight of 329.36 g/mol, XLogP of 3.38, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-fluoro-2-pyridinyl)-2-methyl-5-(pyridin-3-ylamino)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 11667061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).