N-[1-[(5-benzyl-4-phenyl-1,3-thiazol-2-yl)amino]-2-methyl-1-oxopropan-2-yl]pyridine-2-carboxamide

C26H24N4O2S — CID 44596288

IUPACN-[1-[(5-benzyl-4-phenyl-1,3-thiazol-2-yl)amino]-2-methyl-1-oxopropan-2-yl]pyridine-2-carboxamide
SMILESCC(C)(NC(=O)c1ccccn1)C(=O)Nc1nc(-c2ccccc2)c(Cc2ccccc2)s1
InChIInChI=1S/C26H24N4O2S/c1-26(2,30-23(31)20-15-9-10-16-27-20)24(32)29-25-28-22(19-13-7-4-8-14-19)21(33-25)17-18-11-5-3-6-12-18/h3-16H,17H2,1-2H3,(H,30,31)(H,28,29,32)
InChIKeyMMSKSKHNOBUUEA-UHFFFAOYSA-N
MW456.57 g/mol
LogP4.94
Rot. Bonds7

About N-[1-[(5-benzyl-4-phenyl-1,3-thiazol-2-yl)amino]-2-methyl-1-oxopropan-2-yl]pyridine-2-carboxamide

N-[1-[(5-benzyl-4-phenyl-1,3-thiazol-2-yl)amino]-2-methyl-1-oxopropan-2-yl]pyridine-2-carboxamide (PubChem CID 44596288) has the molecular formula C26H24N4O2S and a molecular weight of 456.57 g/mol. Its IUPAC name is N-[1-[(5-benzyl-4-phenyl-1,3-thiazol-2-yl)amino]-2-methyl-1-oxopropan-2-yl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[1-[(5-benzyl-4-phenyl-1,3-thiazol-2-yl)amino]-2-methyl-1-oxopropan-2-yl]pyridine-2-carboxamide
PubChem CID44596288
Molecular FormulaC26H24N4O2S
Molecular Weight456.57 g/mol
Exact Mass456.16
IUPAC NameN-[1-[(5-benzyl-4-phenyl-1,3-thiazol-2-yl)amino]-2-methyl-1-oxopropan-2-yl]pyridine-2-carboxamide
SMILESCC(C)(NC(=O)c1ccccn1)C(=O)Nc1nc(-c2ccccc2)c(Cc2ccccc2)s1
InChIInChI=1S/C26H24N4O2S/c1-26(2,30-23(31)20-15-9-10-16-27-20)24(32)29-25-28-22(19-13-7-4-8-14-19)21(33-25)17-18-11-5-3-6-12-18/h3-16H,17H2,1-2H3,(H,30,31)(H,28,29,32)
InChIKeyMMSKSKHNOBUUEA-UHFFFAOYSA-N
XLogP4.94
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.57
LogP ≤ 54.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-[(5-benzyl-4-phenyl-1,3-thiazol-2-yl)amino]-2-methyl-1-oxopropan-2-yl]pyridine-2-carboxamide?
The IUPAC name of N-[1-[(5-benzyl-4-phenyl-1,3-thiazol-2-yl)amino]-2-methyl-1-oxopropan-2-yl]pyridine-2-carboxamide (CID 44596288) is N-[1-[(5-benzyl-4-phenyl-1,3-thiazol-2-yl)amino]-2-methyl-1-oxopropan-2-yl]pyridine-2-carboxamide.
What is the SMILES notation for N-[1-[(5-benzyl-4-phenyl-1,3-thiazol-2-yl)amino]-2-methyl-1-oxopropan-2-yl]pyridine-2-carboxamide?
The canonical SMILES for N-[1-[(5-benzyl-4-phenyl-1,3-thiazol-2-yl)amino]-2-methyl-1-oxopropan-2-yl]pyridine-2-carboxamide is CC(C)(NC(=O)c1ccccn1)C(=O)Nc1nc(-c2ccccc2)c(Cc2ccccc2)s1.
What is the InChIKey of N-[1-[(5-benzyl-4-phenyl-1,3-thiazol-2-yl)amino]-2-methyl-1-oxopropan-2-yl]pyridine-2-carboxamide?
The InChIKey is MMSKSKHNOBUUEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N4O2S/c1-26(2,30-23(31)20-15-9-10-16-27-20)24(32)29-25-28-22(19-13-7-4-8-14-19)21(33-25)17-18-11-5-3-6-12-18/h3-16H,17H2,1-2H3,(H,30,31)(H,28,29,32).
What are the key properties of N-[1-[(5-benzyl-4-phenyl-1,3-thiazol-2-yl)amino]-2-methyl-1-oxopropan-2-yl]pyridine-2-carboxamide?
N-[1-[(5-benzyl-4-phenyl-1,3-thiazol-2-yl)amino]-2-methyl-1-oxopropan-2-yl]pyridine-2-carboxamide has a molecular weight of 456.57 g/mol, XLogP of 4.94, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(5-benzyl-4-phenyl-1,3-thiazol-2-yl)amino]-2-methyl-1-oxopropan-2-yl]pyridine-2-carboxamide is sourced from PubChem (CID 44596288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).