2-(aminomethyl)-N-[2-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]-1,3-thiazole-4-carboxamide

C18H24N4O2S — CID 119852920

IUPAC2-(aminomethyl)-N-[2-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]-1,3-thiazole-4-carboxamide
SMILESCC1CN(Cc2ccccc2NC(=O)c2csc(CN)n2)CC(C)O1
InChIInChI=1S/C18H24N4O2S/c1-12-8-22(9-13(2)24-12)10-14-5-3-4-6-15(14)21-18(23)16-11-25-17(7-19)20-16/h3-6,11-13H,7-10,19H2,1-2H3,(H,21,23)
InChIKeyZRYNWAJQBICMFU-UHFFFAOYSA-N
MW360.48 g/mol
LogP2.46
Rot. Bonds5

About 2-(aminomethyl)-N-[2-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]-1,3-thiazole-4-carboxamide

2-(aminomethyl)-N-[2-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]-1,3-thiazole-4-carboxamide (PubChem CID 119852920) has the molecular formula C18H24N4O2S and a molecular weight of 360.48 g/mol. Its IUPAC name is 2-(aminomethyl)-N-[2-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-(aminomethyl)-N-[2-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]-1,3-thiazole-4-carboxamide
PubChem CID119852920
Molecular FormulaC18H24N4O2S
Molecular Weight360.48 g/mol
Exact Mass360.16
IUPAC Name2-(aminomethyl)-N-[2-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]-1,3-thiazole-4-carboxamide
SMILESCC1CN(Cc2ccccc2NC(=O)c2csc(CN)n2)CC(C)O1
InChIInChI=1S/C18H24N4O2S/c1-12-8-22(9-13(2)24-12)10-14-5-3-4-6-15(14)21-18(23)16-11-25-17(7-19)20-16/h3-6,11-13H,7-10,19H2,1-2H3,(H,21,23)
InChIKeyZRYNWAJQBICMFU-UHFFFAOYSA-N
XLogP2.46
TPSA80.48 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.48
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-(aminomethyl)-N-[2-(methoxymethyl)phenyl]-1,3-thiazole-4-carboxamide
CID 66376075
2-(2-aminoethyl)-N-[2-(morpholin-4-ylmethyl)phenyl]-1,3-thiazole-4-carboxamide;dihydrochloride
CID 120644858
2-(aminomethyl)-N-[3-(2,6-dimethylmorpholin-4-yl)propyl]-1,3-thiazole-4-carboxamide;dihydrochloride
CID 119841026
3-amino-N-[2-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]benzamide;dihydrochloride
CID 119852915
4-bromo-N-[2-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]-2,5-dimethylfuran-3-carboxamide
CID 78890905
2-(aminomethyl)-N-[2-(3,3,3-trifluoropropyl)phenyl]-1,3-thiazole-4-carboxamide;hydrochloride
CID 119819440
2-(aminomethyl)-N-(2-methylsulfonylphenyl)-1,3-thiazole-4-carboxamide
CID 66376858
1-[2-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]-3-(imidazo[1,2-a]pyridin-2-ylmethyl)urea
CID 75415294
(2S,5R)-5-(aminomethyl)-N-[2-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]oxolane-2-carboxamide
CID 120798334
N-[2-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]-4-ethoxybenzamide
CID 55801462
1-[(2-chlorophenyl)methyl]-N-[2-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]pyrazole-4-carboxamide
CID 55801204
2-(aminomethyl)-N-[2-(pyrrolidine-1-carbonyl)phenyl]-1,3-thiazole-4-carboxamide
CID 119684716

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-[2-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-(aminomethyl)-N-[2-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]-1,3-thiazole-4-carboxamide (CID 119852920) is 2-(aminomethyl)-N-[2-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-(aminomethyl)-N-[2-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-(aminomethyl)-N-[2-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]-1,3-thiazole-4-carboxamide is CC1CN(Cc2ccccc2NC(=O)c2csc(CN)n2)CC(C)O1.
What is the InChIKey of 2-(aminomethyl)-N-[2-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]-1,3-thiazole-4-carboxamide?
The InChIKey is ZRYNWAJQBICMFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O2S/c1-12-8-22(9-13(2)24-12)10-14-5-3-4-6-15(14)21-18(23)16-11-25-17(7-19)20-16/h3-6,11-13H,7-10,19H2,1-2H3,(H,21,23).
What are the key properties of 2-(aminomethyl)-N-[2-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]-1,3-thiazole-4-carboxamide?
2-(aminomethyl)-N-[2-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]-1,3-thiazole-4-carboxamide has a molecular weight of 360.48 g/mol, XLogP of 2.46, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-[2-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 119852920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).