N-[[(2S)-4-benzylmorpholin-2-yl]methyl]-2-(3,4-dimethoxyphenyl)-1,3-thiazole-4-carboxamide

C24H27N3O4S — CID 30468311

IUPACN-[[(2S)-4-benzylmorpholin-2-yl]methyl]-2-(3,4-dimethoxyphenyl)-1,3-thiazole-4-carboxamide
SMILESCOc1ccc(-c2nc(C(=O)NC[C@H]3CN(Cc4ccccc4)CCO3)cs2)cc1OC
InChIInChI=1S/C24H27N3O4S/c1-29-21-9-8-18(12-22(21)30-2)24-26-20(16-32-24)23(28)25-13-19-15-27(10-11-31-19)14-17-6-4-3-5-7-17/h3-9,12,16,19H,10-11,13-15H2,1-2H3,(H,25,28)/t19-/m0/s1
InChIKeyDNONEVGKRNDFOR-IBGZPJMESA-N
MW453.56 g/mol
LogP3.46
Rot. Bonds8

About N-[[(2S)-4-benzylmorpholin-2-yl]methyl]-2-(3,4-dimethoxyphenyl)-1,3-thiazole-4-carboxamide

N-[[(2S)-4-benzylmorpholin-2-yl]methyl]-2-(3,4-dimethoxyphenyl)-1,3-thiazole-4-carboxamide (PubChem CID 30468311) has the molecular formula C24H27N3O4S and a molecular weight of 453.56 g/mol. Its IUPAC name is N-[[(2S)-4-benzylmorpholin-2-yl]methyl]-2-(3,4-dimethoxyphenyl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-[[(2S)-4-benzylmorpholin-2-yl]methyl]-2-(3,4-dimethoxyphenyl)-1,3-thiazole-4-carboxamide
PubChem CID30468311
Molecular FormulaC24H27N3O4S
Molecular Weight453.56 g/mol
Exact Mass453.17
IUPAC NameN-[[(2S)-4-benzylmorpholin-2-yl]methyl]-2-(3,4-dimethoxyphenyl)-1,3-thiazole-4-carboxamide
SMILESCOc1ccc(-c2nc(C(=O)NC[C@H]3CN(Cc4ccccc4)CCO3)cs2)cc1OC
InChIInChI=1S/C24H27N3O4S/c1-29-21-9-8-18(12-22(21)30-2)24-26-20(16-32-24)23(28)25-13-19-15-27(10-11-31-19)14-17-6-4-3-5-7-17/h3-9,12,16,19H,10-11,13-15H2,1-2H3,(H,25,28)/t19-/m0/s1
InChIKeyDNONEVGKRNDFOR-IBGZPJMESA-N
XLogP3.46
TPSA72.92 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.56
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-(2-aminoethyl)-N-[(4-benzylmorpholin-2-yl)methyl]-1,3-thiazole-4-carboxamide;dihydrochloride
CID 120639786
N-[[(2S)-4-benzylmorpholin-2-yl]methyl]-2-(4-methoxyphenyl)acetamide
CID 39472023
N-[(4-benzylmorpholin-2-yl)methyl]-3-(difluoromethoxy)-4-methoxybenzamide
CID 55740410
N-[(4-benzylmorpholin-2-yl)methyl]-3,5-dimethoxybenzamide
CID 17480503
N-[(4-benzylmorpholin-2-yl)methyl]-2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]acetamide
CID 24640675
(4-benzyl-1,4-diazepan-1-yl)-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]methanone
CID 18157558
N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-2-(3,4-dimethoxyphenyl)-1,3-thiazole-4-carboxamide
CID 24504449
N-[[(2R)-4-benzylmorpholin-2-yl]methyl]-4-methoxy-3-nitrobenzamide
CID 31719529
N-[[(2S)-4-benzylmorpholin-2-yl]methyl]-2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]acetamide
CID 35054371
2-(3,4-dimethoxyphenyl)-N-[2-(2,6-dimethylmorpholin-4-yl)ethyl]-1,3-thiazole-4-carboxamide
CID 43044429
1-[[(2R)-4-benzylmorpholin-2-yl]methyl]-3-(2-methoxyphenyl)urea
CID 51579370
N-[[(2S)-4-benzyl-1,4-oxazepan-2-yl]methyl]-2-(2-methoxyphenyl)acetamide
CID 129402067

Frequently Asked Questions

What is the IUPAC name of N-[[(2S)-4-benzylmorpholin-2-yl]methyl]-2-(3,4-dimethoxyphenyl)-1,3-thiazole-4-carboxamide?
The IUPAC name of N-[[(2S)-4-benzylmorpholin-2-yl]methyl]-2-(3,4-dimethoxyphenyl)-1,3-thiazole-4-carboxamide (CID 30468311) is N-[[(2S)-4-benzylmorpholin-2-yl]methyl]-2-(3,4-dimethoxyphenyl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-[[(2S)-4-benzylmorpholin-2-yl]methyl]-2-(3,4-dimethoxyphenyl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-[[(2S)-4-benzylmorpholin-2-yl]methyl]-2-(3,4-dimethoxyphenyl)-1,3-thiazole-4-carboxamide is COc1ccc(-c2nc(C(=O)NC[C@H]3CN(Cc4ccccc4)CCO3)cs2)cc1OC.
What is the InChIKey of N-[[(2S)-4-benzylmorpholin-2-yl]methyl]-2-(3,4-dimethoxyphenyl)-1,3-thiazole-4-carboxamide?
The InChIKey is DNONEVGKRNDFOR-IBGZPJMESA-N. The full InChI is InChI=1S/C24H27N3O4S/c1-29-21-9-8-18(12-22(21)30-2)24-26-20(16-32-24)23(28)25-13-19-15-27(10-11-31-19)14-17-6-4-3-5-7-17/h3-9,12,16,19H,10-11,13-15H2,1-2H3,(H,25,28)/t19-/m0/s1.
What are the key properties of N-[[(2S)-4-benzylmorpholin-2-yl]methyl]-2-(3,4-dimethoxyphenyl)-1,3-thiazole-4-carboxamide?
N-[[(2S)-4-benzylmorpholin-2-yl]methyl]-2-(3,4-dimethoxyphenyl)-1,3-thiazole-4-carboxamide has a molecular weight of 453.56 g/mol, XLogP of 3.46, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2S)-4-benzylmorpholin-2-yl]methyl]-2-(3,4-dimethoxyphenyl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 30468311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).