2-N-[5-[(2-methylphenyl)methyl]-1,3-thiazol-2-yl]pyridine-2,5-dicarboxamide

C18H16N4O2S — CID 51130187

IUPAC2-N-[5-[(2-methylphenyl)methyl]-1,3-thiazol-2-yl]pyridine-2,5-dicarboxamide
SMILESCc1ccccc1Cc1cnc(NC(=O)c2ccc(C(N)=O)cn2)s1
InChIInChI=1S/C18H16N4O2S/c1-11-4-2-3-5-12(11)8-14-10-21-18(25-14)22-17(24)15-7-6-13(9-20-15)16(19)23/h2-7,9-10H,8H2,1H3,(H2,19,23)(H,21,22,24)
InChIKeyZWXPVFXOAHBAJT-UHFFFAOYSA-N
MW352.42 g/mol
LogP2.79
Rot. Bonds5

About 2-N-[5-[(2-methylphenyl)methyl]-1,3-thiazol-2-yl]pyridine-2,5-dicarboxamide

2-N-[5-[(2-methylphenyl)methyl]-1,3-thiazol-2-yl]pyridine-2,5-dicarboxamide (PubChem CID 51130187) has the molecular formula C18H16N4O2S and a molecular weight of 352.42 g/mol. Its IUPAC name is 2-N-[5-[(2-methylphenyl)methyl]-1,3-thiazol-2-yl]pyridine-2,5-dicarboxamide.

Molecular Properties

Compound Name2-N-[5-[(2-methylphenyl)methyl]-1,3-thiazol-2-yl]pyridine-2,5-dicarboxamide
PubChem CID51130187
Molecular FormulaC18H16N4O2S
Molecular Weight352.42 g/mol
Exact Mass352.10
IUPAC Name2-N-[5-[(2-methylphenyl)methyl]-1,3-thiazol-2-yl]pyridine-2,5-dicarboxamide
SMILESCc1ccccc1Cc1cnc(NC(=O)c2ccc(C(N)=O)cn2)s1
InChIInChI=1S/C18H16N4O2S/c1-11-4-2-3-5-12(11)8-14-10-21-18(25-14)22-17(24)15-7-6-13(9-20-15)16(19)23/h2-7,9-10H,8H2,1H3,(H2,19,23)(H,21,22,24)
InChIKeyZWXPVFXOAHBAJT-UHFFFAOYSA-N
XLogP2.79
TPSA97.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.42
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]-6-methylpyridine-3-carboxamide
CID 46511635
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2-methoxy-N-[5-[(2-methylphenyl)methyl]-1,3-thiazol-2-yl]-2-phenylacetamide
CID 143018395
N-[5-[(2-chloro-3-methylphenyl)methyl]-1,3-thiazol-2-yl]-4-(ethylsulfamoyl)benzamide
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3-acetamido-N-[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]benzamide
CID 36782312
N-[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]-4-phenoxybenzamide
CID 16651562
N-[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]-4-(methanesulfonamido)benzamide
CID 46510170
N-[5-[(2-fluorophenyl)methyl]-1,3-thiazol-2-yl]acetamide
CID 2227870
4-N-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]benzene-1,4-dicarboxamide
CID 51202299
N-[5-[(2,4-dichlorophenyl)methyl]-1,3-thiazol-2-yl]pyridine-2-carboxamide
CID 24628775
N-[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]-2-methyl-6-oxo-1H-pyrimidine-4-carboxamide
CID 135963079
3-methyl-N-[5-[(2-methylphenyl)methyl]-1,3-thiazol-2-yl]-1-oxo-4H-isochromene-3-carboxamide
CID 3159005

Frequently Asked Questions

What is the IUPAC name of 2-N-[5-[(2-methylphenyl)methyl]-1,3-thiazol-2-yl]pyridine-2,5-dicarboxamide?
The IUPAC name of 2-N-[5-[(2-methylphenyl)methyl]-1,3-thiazol-2-yl]pyridine-2,5-dicarboxamide (CID 51130187) is 2-N-[5-[(2-methylphenyl)methyl]-1,3-thiazol-2-yl]pyridine-2,5-dicarboxamide.
What is the SMILES notation for 2-N-[5-[(2-methylphenyl)methyl]-1,3-thiazol-2-yl]pyridine-2,5-dicarboxamide?
The canonical SMILES for 2-N-[5-[(2-methylphenyl)methyl]-1,3-thiazol-2-yl]pyridine-2,5-dicarboxamide is Cc1ccccc1Cc1cnc(NC(=O)c2ccc(C(N)=O)cn2)s1.
What is the InChIKey of 2-N-[5-[(2-methylphenyl)methyl]-1,3-thiazol-2-yl]pyridine-2,5-dicarboxamide?
The InChIKey is ZWXPVFXOAHBAJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N4O2S/c1-11-4-2-3-5-12(11)8-14-10-21-18(25-14)22-17(24)15-7-6-13(9-20-15)16(19)23/h2-7,9-10H,8H2,1H3,(H2,19,23)(H,21,22,24).
What are the key properties of 2-N-[5-[(2-methylphenyl)methyl]-1,3-thiazol-2-yl]pyridine-2,5-dicarboxamide?
2-N-[5-[(2-methylphenyl)methyl]-1,3-thiazol-2-yl]pyridine-2,5-dicarboxamide has a molecular weight of 352.42 g/mol, XLogP of 2.79, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[5-[(2-methylphenyl)methyl]-1,3-thiazol-2-yl]pyridine-2,5-dicarboxamide is sourced from PubChem (CID 51130187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).