N-[4-[(2,6-dimethylmorpholin-4-yl)methyl]-1,3-thiazol-2-yl]bicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide

C19H23N3O2S — CID 127348482

IUPACN-[4-[(2,6-dimethylmorpholin-4-yl)methyl]-1,3-thiazol-2-yl]bicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide
SMILESCC1CN(Cc2csc(NC(=O)C3Cc4ccccc43)n2)CC(C)O1
InChIInChI=1S/C19H23N3O2S/c1-12-8-22(9-13(2)24-12)10-15-11-25-19(20-15)21-18(23)17-7-14-5-3-4-6-16(14)17/h3-6,11-13,17H,7-10H2,1-2H3,(H,20,21,23)
InChIKeyCRBOCHLSBWPPMU-UHFFFAOYSA-N
MW357.48 g/mol
LogP3.03
Rot. Bonds4

About N-[4-[(2,6-dimethylmorpholin-4-yl)methyl]-1,3-thiazol-2-yl]bicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide

N-[4-[(2,6-dimethylmorpholin-4-yl)methyl]-1,3-thiazol-2-yl]bicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide (PubChem CID 127348482) has the molecular formula C19H23N3O2S and a molecular weight of 357.48 g/mol. Its IUPAC name is N-[4-[(2,6-dimethylmorpholin-4-yl)methyl]-1,3-thiazol-2-yl]bicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide.

Molecular Properties

Compound NameN-[4-[(2,6-dimethylmorpholin-4-yl)methyl]-1,3-thiazol-2-yl]bicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide
PubChem CID127348482
Molecular FormulaC19H23N3O2S
Molecular Weight357.48 g/mol
Exact Mass357.15
IUPAC NameN-[4-[(2,6-dimethylmorpholin-4-yl)methyl]-1,3-thiazol-2-yl]bicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide
SMILESCC1CN(Cc2csc(NC(=O)C3Cc4ccccc43)n2)CC(C)O1
InChIInChI=1S/C19H23N3O2S/c1-12-8-22(9-13(2)24-12)10-15-11-25-19(20-15)21-18(23)17-7-14-5-3-4-6-16(14)17/h3-6,11-13,17H,7-10H2,1-2H3,(H,20,21,23)
InChIKeyCRBOCHLSBWPPMU-UHFFFAOYSA-N
XLogP3.03
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.48
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[4-[(2,6-dimethylmorpholin-4-yl)methyl]-1,3-thiazol-2-yl]bicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide with MolForge

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Related Compounds

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]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 119840454
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]-2-methylcyclopropane-1-carboxamide
CID 51324198
N-[4-[(2,6-dimethylmorpholin-4-yl)methyl]-1,3-thiazol-2-yl]-2-(2-methylphenyl)acetamide
CID 51321385
(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]-3-[(3R)-2-oxo-3,4-dihydro-1H-quinolin-3-yl]propanamide
CID 30202410
N-[4-[[(2S,6S)-2,6-dimethylmorpholin-4-yl]methyl]-1,3-thiazol-2-yl]-2-methoxybenzamide
CID 30196157
(2S)-N-[4-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]-1,3-thiazol-2-yl]-2-phenoxypropanamide
CID 30197433
4-N-[4-[(2,6-dimethylmorpholin-4-yl)methyl]-1,3-thiazol-2-yl]benzene-1,4-dicarboxamide
CID 55507882
N-[4-[(2,6-dimethylmorpholin-4-yl)methyl]-1,3-thiazol-2-yl]-1-naphthalen-1-yl-5-oxopyrrolidine-3-carboxamide
CID 24611284

Frequently Asked Questions

What is the IUPAC name of N-[4-[(2,6-dimethylmorpholin-4-yl)methyl]-1,3-thiazol-2-yl]bicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide?
The IUPAC name of N-[4-[(2,6-dimethylmorpholin-4-yl)methyl]-1,3-thiazol-2-yl]bicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide (CID 127348482) is N-[4-[(2,6-dimethylmorpholin-4-yl)methyl]-1,3-thiazol-2-yl]bicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide.
What is the SMILES notation for N-[4-[(2,6-dimethylmorpholin-4-yl)methyl]-1,3-thiazol-2-yl]bicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide?
The canonical SMILES for N-[4-[(2,6-dimethylmorpholin-4-yl)methyl]-1,3-thiazol-2-yl]bicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide is CC1CN(Cc2csc(NC(=O)C3Cc4ccccc43)n2)CC(C)O1.
What is the InChIKey of N-[4-[(2,6-dimethylmorpholin-4-yl)methyl]-1,3-thiazol-2-yl]bicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide?
The InChIKey is CRBOCHLSBWPPMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O2S/c1-12-8-22(9-13(2)24-12)10-15-11-25-19(20-15)21-18(23)17-7-14-5-3-4-6-16(14)17/h3-6,11-13,17H,7-10H2,1-2H3,(H,20,21,23).
What are the key properties of N-[4-[(2,6-dimethylmorpholin-4-yl)methyl]-1,3-thiazol-2-yl]bicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide?
N-[4-[(2,6-dimethylmorpholin-4-yl)methyl]-1,3-thiazol-2-yl]bicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide has a molecular weight of 357.48 g/mol, XLogP of 3.03, 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-dimethylmorpholin-4-yl)methyl]-1,3-thiazol-2-yl]bicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide is sourced from PubChem (CID 127348482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).