N-[4-(2,6-difluoro-4-methoxyphenyl)-1,3-thiazol-2-yl]pyridine-4-carboxamide

C16H11F2N3O2S — CID 88901592

IUPACN-[4-(2,6-difluoro-4-methoxyphenyl)-1,3-thiazol-2-yl]pyridine-4-carboxamide
SMILESCOc1cc(F)c(-c2csc(NC(=O)c3ccncc3)n2)c(F)c1
InChIInChI=1S/C16H11F2N3O2S/c1-23-10-6-11(17)14(12(18)7-10)13-8-24-16(20-13)21-15(22)9-2-4-19-5-3-9/h2-8H,1H3,(H,20,21,22)
InChIKeyWOHMSRUPNMRNIZ-UHFFFAOYSA-N
MW347.35 g/mol
LogP3.74
Rot. Bonds4

About N-[4-(2,6-difluoro-4-methoxyphenyl)-1,3-thiazol-2-yl]pyridine-4-carboxamide

N-[4-(2,6-difluoro-4-methoxyphenyl)-1,3-thiazol-2-yl]pyridine-4-carboxamide (PubChem CID 88901592) has the molecular formula C16H11F2N3O2S and a molecular weight of 347.35 g/mol. Its IUPAC name is N-[4-(2,6-difluoro-4-methoxyphenyl)-1,3-thiazol-2-yl]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[4-(2,6-difluoro-4-methoxyphenyl)-1,3-thiazol-2-yl]pyridine-4-carboxamide
PubChem CID88901592
Molecular FormulaC16H11F2N3O2S
Molecular Weight347.35 g/mol
Exact Mass347.05
IUPAC NameN-[4-(2,6-difluoro-4-methoxyphenyl)-1,3-thiazol-2-yl]pyridine-4-carboxamide
SMILESCOc1cc(F)c(-c2csc(NC(=O)c3ccncc3)n2)c(F)c1
InChIInChI=1S/C16H11F2N3O2S/c1-23-10-6-11(17)14(12(18)7-10)13-8-24-16(20-13)21-15(22)9-2-4-19-5-3-9/h2-8H,1H3,(H,20,21,22)
InChIKeyWOHMSRUPNMRNIZ-UHFFFAOYSA-N
XLogP3.74
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.35
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-(2,6-difluoro-4-methoxyphenyl)-1,3-thiazol-2-yl]pyridine-4-carboxamide?
The IUPAC name of N-[4-(2,6-difluoro-4-methoxyphenyl)-1,3-thiazol-2-yl]pyridine-4-carboxamide (CID 88901592) is N-[4-(2,6-difluoro-4-methoxyphenyl)-1,3-thiazol-2-yl]pyridine-4-carboxamide.
What is the SMILES notation for N-[4-(2,6-difluoro-4-methoxyphenyl)-1,3-thiazol-2-yl]pyridine-4-carboxamide?
The canonical SMILES for N-[4-(2,6-difluoro-4-methoxyphenyl)-1,3-thiazol-2-yl]pyridine-4-carboxamide is COc1cc(F)c(-c2csc(NC(=O)c3ccncc3)n2)c(F)c1.
What is the InChIKey of N-[4-(2,6-difluoro-4-methoxyphenyl)-1,3-thiazol-2-yl]pyridine-4-carboxamide?
The InChIKey is WOHMSRUPNMRNIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11F2N3O2S/c1-23-10-6-11(17)14(12(18)7-10)13-8-24-16(20-13)21-15(22)9-2-4-19-5-3-9/h2-8H,1H3,(H,20,21,22).
What are the key properties of N-[4-(2,6-difluoro-4-methoxyphenyl)-1,3-thiazol-2-yl]pyridine-4-carboxamide?
N-[4-(2,6-difluoro-4-methoxyphenyl)-1,3-thiazol-2-yl]pyridine-4-carboxamide has a molecular weight of 347.35 g/mol, XLogP of 3.74, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2,6-difluoro-4-methoxyphenyl)-1,3-thiazol-2-yl]pyridine-4-carboxamide is sourced from PubChem (CID 88901592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).