N-[4-[[(2S,6S)-2,6-dimethylmorpholin-4-yl]methyl]-1,3-thiazol-2-yl]-2-methoxybenzamide

C18H23N3O3S — CID 30196157

IUPACN-[4-[[(2S,6S)-2,6-dimethylmorpholin-4-yl]methyl]-1,3-thiazol-2-yl]-2-methoxybenzamide
SMILESCOc1ccccc1C(=O)Nc1nc(CN2C[C@H](C)O[C@@H](C)C2)cs1
InChIInChI=1S/C18H23N3O3S/c1-12-8-21(9-13(2)24-12)10-14-11-25-18(19-14)20-17(22)15-6-4-5-7-16(15)23-3/h4-7,11-13H,8-10H2,1-3H3,(H,19,20,22)/t12-,13-/m0/s1
InChIKeyITPUQKNMIFLAKO-STQMWFEESA-N
MW361.47 g/mol
LogP3.01
Rot. Bonds5

About N-[4-[[(2S,6S)-2,6-dimethylmorpholin-4-yl]methyl]-1,3-thiazol-2-yl]-2-methoxybenzamide

N-[4-[[(2S,6S)-2,6-dimethylmorpholin-4-yl]methyl]-1,3-thiazol-2-yl]-2-methoxybenzamide (PubChem CID 30196157) has the molecular formula C18H23N3O3S and a molecular weight of 361.47 g/mol. Its IUPAC name is N-[4-[[(2S,6S)-2,6-dimethylmorpholin-4-yl]methyl]-1,3-thiazol-2-yl]-2-methoxybenzamide.

Molecular Properties

Compound NameN-[4-[[(2S,6S)-2,6-dimethylmorpholin-4-yl]methyl]-1,3-thiazol-2-yl]-2-methoxybenzamide
PubChem CID30196157
Molecular FormulaC18H23N3O3S
Molecular Weight361.47 g/mol
Exact Mass361.15
IUPAC NameN-[4-[[(2S,6S)-2,6-dimethylmorpholin-4-yl]methyl]-1,3-thiazol-2-yl]-2-methoxybenzamide
SMILESCOc1ccccc1C(=O)Nc1nc(CN2C[C@H](C)O[C@@H](C)C2)cs1
InChIInChI=1S/C18H23N3O3S/c1-12-8-21(9-13(2)24-12)10-14-11-25-18(19-14)20-17(22)15-6-4-5-7-16(15)23-3/h4-7,11-13H,8-10H2,1-3H3,(H,19,20,22)/t12-,13-/m0/s1
InChIKeyITPUQKNMIFLAKO-STQMWFEESA-N
XLogP3.01
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.47
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[4-[[(2S,6S)-2,6-dimethylmorpholin-4-yl]methyl]-1,3-thiazol-2-yl]-2-methoxybenzamide with MolForge

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Related Compounds

N-[4-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]-1,3-thiazol-2-yl]-3-fluoro-4-methoxybenzamide
CID 25496621
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-[(2,6-dimethylmorpholin-4-yl)methyl]-1,3-thiazol-2-yl]-2-(2,5-dimethylpyrrol-1-yl)thiophene-3-carboxamide
CID 112807851
N-[4-[(2,6-dimethylmorpholin-4-yl)methyl]-1,3-thiazol-2-yl]-4-methoxy-3-nitrobenzamide
CID 42933449
N-[4-[(2,6-dimethylmorpholin-4-yl)methyl]-1,3-thiazol-2-yl]-2-naphthalen-1-yloxyacetamide
CID 17495173
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]-2-(4-methoxyphenyl)acetamide
CID 51324177
N-[4-[(2,6-dimethylmorpholin-4-yl)methyl]-1,3-thiazol-2-yl]-2-oxo-1H-quinoline-4-carboxamide
CID 51321370
4-N-[4-[(2,6-dimethylmorpholin-4-yl)methyl]-1,3-thiazol-2-yl]benzene-1,4-dicarboxamide
CID 55507882
5-chloro-N-[4-[(2,6-dimethylmorpholin-4-yl)methyl]-1,3-thiazol-2-yl]-2-propan-2-yloxybenzamide
CID 60572583
N-[4-[[(2S,6S)-2,6-dimethylmorpholin-4-yl]methyl]-1,3-thiazol-2-yl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 92809803
N-[4-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]-1,3-thiazol-2-yl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 92809799

Frequently Asked Questions

What is the IUPAC name of N-[4-[[(2S,6S)-2,6-dimethylmorpholin-4-yl]methyl]-1,3-thiazol-2-yl]-2-methoxybenzamide?
The IUPAC name of N-[4-[[(2S,6S)-2,6-dimethylmorpholin-4-yl]methyl]-1,3-thiazol-2-yl]-2-methoxybenzamide (CID 30196157) is N-[4-[[(2S,6S)-2,6-dimethylmorpholin-4-yl]methyl]-1,3-thiazol-2-yl]-2-methoxybenzamide.
What is the SMILES notation for N-[4-[[(2S,6S)-2,6-dimethylmorpholin-4-yl]methyl]-1,3-thiazol-2-yl]-2-methoxybenzamide?
The canonical SMILES for N-[4-[[(2S,6S)-2,6-dimethylmorpholin-4-yl]methyl]-1,3-thiazol-2-yl]-2-methoxybenzamide is COc1ccccc1C(=O)Nc1nc(CN2C[C@H](C)O[C@@H](C)C2)cs1.
What is the InChIKey of N-[4-[[(2S,6S)-2,6-dimethylmorpholin-4-yl]methyl]-1,3-thiazol-2-yl]-2-methoxybenzamide?
The InChIKey is ITPUQKNMIFLAKO-STQMWFEESA-N. The full InChI is InChI=1S/C18H23N3O3S/c1-12-8-21(9-13(2)24-12)10-14-11-25-18(19-14)20-17(22)15-6-4-5-7-16(15)23-3/h4-7,11-13H,8-10H2,1-3H3,(H,19,20,22)/t12-,13-/m0/s1.
What are the key properties of N-[4-[[(2S,6S)-2,6-dimethylmorpholin-4-yl]methyl]-1,3-thiazol-2-yl]-2-methoxybenzamide?
N-[4-[[(2S,6S)-2,6-dimethylmorpholin-4-yl]methyl]-1,3-thiazol-2-yl]-2-methoxybenzamide has a molecular weight of 361.47 g/mol, XLogP of 3.01, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[(2S,6S)-2,6-dimethylmorpholin-4-yl]methyl]-1,3-thiazol-2-yl]-2-methoxybenzamide is sourced from PubChem (CID 30196157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).