3-(2,4-difluorophenyl)-N-[4-[(2,6-dimethylmorpholin-4-yl)methyl]-1,3-thiazol-2-yl]-1-methylpyrazole-4-carboxamide

C21H23F2N5O2S — CID 86948076

IUPAC3-(2,4-difluorophenyl)-N-[4-[(2,6-dimethylmorpholin-4-yl)methyl]-1,3-thiazol-2-yl]-1-methylpyrazole-4-carboxamide
SMILESCC1CN(Cc2csc(NC(=O)c3cn(C)nc3-c3ccc(F)cc3F)n2)CC(C)O1
InChIInChI=1S/C21H23F2N5O2S/c1-12-7-28(8-13(2)30-12)9-15-11-31-21(24-15)25-20(29)17-10-27(3)26-19(17)16-5-4-14(22)6-18(16)23/h4-6,10-13H,7-9H2,1-3H3,(H,24,25,29)
InChIKeyOYYUBTPIAKMDPK-UHFFFAOYSA-N
MW447.51 g/mol
LogP3.68
Rot. Bonds5

About 3-(2,4-difluorophenyl)-N-[4-[(2,6-dimethylmorpholin-4-yl)methyl]-1,3-thiazol-2-yl]-1-methylpyrazole-4-carboxamide

3-(2,4-difluorophenyl)-N-[4-[(2,6-dimethylmorpholin-4-yl)methyl]-1,3-thiazol-2-yl]-1-methylpyrazole-4-carboxamide (PubChem CID 86948076) has the molecular formula C21H23F2N5O2S and a molecular weight of 447.51 g/mol. Its IUPAC name is 3-(2,4-difluorophenyl)-N-[4-[(2,6-dimethylmorpholin-4-yl)methyl]-1,3-thiazol-2-yl]-1-methylpyrazole-4-carboxamide.

Molecular Properties

Compound Name3-(2,4-difluorophenyl)-N-[4-[(2,6-dimethylmorpholin-4-yl)methyl]-1,3-thiazol-2-yl]-1-methylpyrazole-4-carboxamide
PubChem CID86948076
Molecular FormulaC21H23F2N5O2S
Molecular Weight447.51 g/mol
Exact Mass447.15
IUPAC Name3-(2,4-difluorophenyl)-N-[4-[(2,6-dimethylmorpholin-4-yl)methyl]-1,3-thiazol-2-yl]-1-methylpyrazole-4-carboxamide
SMILESCC1CN(Cc2csc(NC(=O)c3cn(C)nc3-c3ccc(F)cc3F)n2)CC(C)O1
InChIInChI=1S/C21H23F2N5O2S/c1-12-7-28(8-13(2)30-12)9-15-11-31-21(24-15)25-20(29)17-10-27(3)26-19(17)16-5-4-14(22)6-18(16)23/h4-6,10-13H,7-9H2,1-3H3,(H,24,25,29)
InChIKeyOYYUBTPIAKMDPK-UHFFFAOYSA-N
XLogP3.68
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.51
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

5-acetamido-N-[4-[(2,6-dimethylmorpholin-4-yl)methyl]-1,3-thiazol-2-yl]-2-fluorobenzamide
CID 60570943
5-chloro-N-[4-[(2,6-dimethylmorpholin-4-yl)methyl]-1,3-thiazol-2-yl]-2-propan-2-yloxybenzamide
CID 60572583
2-chloro-N-[3-[[4-[(2,6-dimethylmorpholin-4-yl)methyl]-1,3-thiazol-2-yl]amino]-3-oxopropyl]-4-fluorobenzamide
CID 55758734
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]-2,5-dimethylfuran-3-carboxamide
CID 134055791
N-[4-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]-1,3-thiazol-2-yl]-3-fluoro-4-methoxybenzamide
CID 25496621
N-[4-[(2,6-dimethylmorpholin-4-yl)methyl]-1,3-thiazol-2-yl]-2-(2,5-dimethylpyrrol-1-yl)thiophene-3-carboxamide
CID 112807851
3-(2,4-difluorophenyl)-N-[4-(2-ethoxyphenyl)-1,3-thiazol-2-yl]-1-methylpyrazole-4-carboxamide
CID 86948216
2-chloro-N-[4-[(2,6-dimethylmorpholin-4-yl)methyl]-1,3-thiazol-2-yl]pyridine-4-carboxamide
CID 55520784
4-N-[4-[(2,6-dimethylmorpholin-4-yl)methyl]-1,3-thiazol-2-yl]benzene-1,4-dicarboxamide
CID 55507882
N-[4-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]-1,3-thiazol-2-yl]-2-oxo-1H-quinoline-3-carboxamide
CID 32820136
N-[4-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]-1,3-thiazol-2-yl]cyclopropanecarboxamide
CID 30216768

Frequently Asked Questions

What is the IUPAC name of 3-(2,4-difluorophenyl)-N-[4-[(2,6-dimethylmorpholin-4-yl)methyl]-1,3-thiazol-2-yl]-1-methylpyrazole-4-carboxamide?
The IUPAC name of 3-(2,4-difluorophenyl)-N-[4-[(2,6-dimethylmorpholin-4-yl)methyl]-1,3-thiazol-2-yl]-1-methylpyrazole-4-carboxamide (CID 86948076) is 3-(2,4-difluorophenyl)-N-[4-[(2,6-dimethylmorpholin-4-yl)methyl]-1,3-thiazol-2-yl]-1-methylpyrazole-4-carboxamide.
What is the SMILES notation for 3-(2,4-difluorophenyl)-N-[4-[(2,6-dimethylmorpholin-4-yl)methyl]-1,3-thiazol-2-yl]-1-methylpyrazole-4-carboxamide?
The canonical SMILES for 3-(2,4-difluorophenyl)-N-[4-[(2,6-dimethylmorpholin-4-yl)methyl]-1,3-thiazol-2-yl]-1-methylpyrazole-4-carboxamide is CC1CN(Cc2csc(NC(=O)c3cn(C)nc3-c3ccc(F)cc3F)n2)CC(C)O1.
What is the InChIKey of 3-(2,4-difluorophenyl)-N-[4-[(2,6-dimethylmorpholin-4-yl)methyl]-1,3-thiazol-2-yl]-1-methylpyrazole-4-carboxamide?
The InChIKey is OYYUBTPIAKMDPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23F2N5O2S/c1-12-7-28(8-13(2)30-12)9-15-11-31-21(24-15)25-20(29)17-10-27(3)26-19(17)16-5-4-14(22)6-18(16)23/h4-6,10-13H,7-9H2,1-3H3,(H,24,25,29).
What are the key properties of 3-(2,4-difluorophenyl)-N-[4-[(2,6-dimethylmorpholin-4-yl)methyl]-1,3-thiazol-2-yl]-1-methylpyrazole-4-carboxamide?
3-(2,4-difluorophenyl)-N-[4-[(2,6-dimethylmorpholin-4-yl)methyl]-1,3-thiazol-2-yl]-1-methylpyrazole-4-carboxamide has a molecular weight of 447.51 g/mol, XLogP of 3.68, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-difluorophenyl)-N-[4-[(2,6-dimethylmorpholin-4-yl)methyl]-1,3-thiazol-2-yl]-1-methylpyrazole-4-carboxamide is sourced from PubChem (CID 86948076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).