N-[4-[(2,6-dimethylmorpholin-4-yl)methyl]-1,3-thiazol-2-yl]-1,5-diphenyl-1,2,4-triazole-3-carboxamide

C25H26N6O2S — CID 55507965

IUPACN-[4-[(2,6-dimethylmorpholin-4-yl)methyl]-1,3-thiazol-2-yl]-1,5-diphenyl-1,2,4-triazole-3-carboxamide
SMILESCC1CN(Cc2csc(NC(=O)c3nc(-c4ccccc4)n(-c4ccccc4)n3)n2)CC(C)O1
InChIInChI=1S/C25H26N6O2S/c1-17-13-30(14-18(2)33-17)15-20-16-34-25(26-20)28-24(32)22-27-23(19-9-5-3-6-10-19)31(29-22)21-11-7-4-8-12-21/h3-12,16-18H,13-15H2,1-2H3,(H,26,28,32)
InChIKeyQCIWYBCQRDMQGM-UHFFFAOYSA-N
MW474.59 g/mol
LogP4.25
Rot. Bonds6

About N-[4-[(2,6-dimethylmorpholin-4-yl)methyl]-1,3-thiazol-2-yl]-1,5-diphenyl-1,2,4-triazole-3-carboxamide

N-[4-[(2,6-dimethylmorpholin-4-yl)methyl]-1,3-thiazol-2-yl]-1,5-diphenyl-1,2,4-triazole-3-carboxamide (PubChem CID 55507965) has the molecular formula C25H26N6O2S and a molecular weight of 474.59 g/mol. Its IUPAC name is N-[4-[(2,6-dimethylmorpholin-4-yl)methyl]-1,3-thiazol-2-yl]-1,5-diphenyl-1,2,4-triazole-3-carboxamide.

Molecular Properties

Compound NameN-[4-[(2,6-dimethylmorpholin-4-yl)methyl]-1,3-thiazol-2-yl]-1,5-diphenyl-1,2,4-triazole-3-carboxamide
PubChem CID55507965
Molecular FormulaC25H26N6O2S
Molecular Weight474.59 g/mol
Exact Mass474.18
IUPAC NameN-[4-[(2,6-dimethylmorpholin-4-yl)methyl]-1,3-thiazol-2-yl]-1,5-diphenyl-1,2,4-triazole-3-carboxamide
SMILESCC1CN(Cc2csc(NC(=O)c3nc(-c4ccccc4)n(-c4ccccc4)n3)n2)CC(C)O1
InChIInChI=1S/C25H26N6O2S/c1-17-13-30(14-18(2)33-17)15-20-16-34-25(26-20)28-24(32)22-27-23(19-9-5-3-6-10-19)31(29-22)21-11-7-4-8-12-21/h3-12,16-18H,13-15H2,1-2H3,(H,26,28,32)
InChIKeyQCIWYBCQRDMQGM-UHFFFAOYSA-N
XLogP4.25
TPSA85.17 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.59
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-[4-[(2,6-dimethylmorpholin-4-yl)methyl]-1,3-thiazol-2-yl]-2-(2,5-dimethylpyrrol-1-yl)thiophene-3-carboxamide
CID 112807851
N-[4-[[(2S,6S)-2,6-dimethylmorpholin-4-yl]methyl]-1,3-thiazol-2-yl]-2-methoxybenzamide
CID 30196157
N-[4-[(2,6-dimethylmorpholin-4-yl)methyl]-1,3-thiazol-2-yl]-2-(2-methylphenyl)acetamide
CID 51321385
4-N-[4-[(2,6-dimethylmorpholin-4-yl)methyl]-1,3-thiazol-2-yl]benzene-1,4-dicarboxamide
CID 55507882
(E)-N-[4-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]-1,3-thiazol-2-yl]-3-phenylprop-2-enamide
CID 51931192
N-[4-[[(2S,6S)-2-methyl-6-phenylmorpholin-4-yl]methyl]-1,3-thiazol-2-yl]acetamide
CID 95371996
N-[4-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]-1,3-thiazol-2-yl]cyclopropanecarboxamide
CID 30216768
N-[4-[(2,6-dimethylmorpholin-4-yl)methyl]-1,3-thiazol-2-yl]-9H-xanthene-9-carboxamide
CID 42933445
N-[4-[(2,6-dimethylmorpholin-4-yl)methyl]-1,3-thiazol-2-yl]-2,5-dimethylfuran-3-carboxamide
CID 134055791
N-[4-[(2,6-dimethylmorpholin-4-yl)methyl]-1,3-thiazol-2-yl]-6-methyl-1-(2-nitrophenyl)-4-oxopyridazine-3-carboxamide
CID 55507209
(2S)-N-[4-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]-1,3-thiazol-2-yl]-2-phenoxypropanamide
CID 30197433
N-[4-[(2,6-dimethylmorpholin-4-yl)methyl]-1,3-thiazol-2-yl]-2-methylcyclopropane-1-carboxamide
CID 51324198

Frequently Asked Questions

What is the IUPAC name of N-[4-[(2,6-dimethylmorpholin-4-yl)methyl]-1,3-thiazol-2-yl]-1,5-diphenyl-1,2,4-triazole-3-carboxamide?
The IUPAC name of N-[4-[(2,6-dimethylmorpholin-4-yl)methyl]-1,3-thiazol-2-yl]-1,5-diphenyl-1,2,4-triazole-3-carboxamide (CID 55507965) is N-[4-[(2,6-dimethylmorpholin-4-yl)methyl]-1,3-thiazol-2-yl]-1,5-diphenyl-1,2,4-triazole-3-carboxamide.
What is the SMILES notation for N-[4-[(2,6-dimethylmorpholin-4-yl)methyl]-1,3-thiazol-2-yl]-1,5-diphenyl-1,2,4-triazole-3-carboxamide?
The canonical SMILES for N-[4-[(2,6-dimethylmorpholin-4-yl)methyl]-1,3-thiazol-2-yl]-1,5-diphenyl-1,2,4-triazole-3-carboxamide is CC1CN(Cc2csc(NC(=O)c3nc(-c4ccccc4)n(-c4ccccc4)n3)n2)CC(C)O1.
What is the InChIKey of N-[4-[(2,6-dimethylmorpholin-4-yl)methyl]-1,3-thiazol-2-yl]-1,5-diphenyl-1,2,4-triazole-3-carboxamide?
The InChIKey is QCIWYBCQRDMQGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N6O2S/c1-17-13-30(14-18(2)33-17)15-20-16-34-25(26-20)28-24(32)22-27-23(19-9-5-3-6-10-19)31(29-22)21-11-7-4-8-12-21/h3-12,16-18H,13-15H2,1-2H3,(H,26,28,32).
What are the key properties of N-[4-[(2,6-dimethylmorpholin-4-yl)methyl]-1,3-thiazol-2-yl]-1,5-diphenyl-1,2,4-triazole-3-carboxamide?
N-[4-[(2,6-dimethylmorpholin-4-yl)methyl]-1,3-thiazol-2-yl]-1,5-diphenyl-1,2,4-triazole-3-carboxamide has a molecular weight of 474.59 g/mol, XLogP of 4.25, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(2,6-dimethylmorpholin-4-yl)methyl]-1,3-thiazol-2-yl]-1,5-diphenyl-1,2,4-triazole-3-carboxamide is sourced from PubChem (CID 55507965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).