2-(3,4-dimethoxyphenyl)-N-[4-[(2,6-dimethylmorpholin-4-yl)methyl]-1,3-thiazol-2-yl]-4-methyl-1,3-thiazole-5-carboxamide

C23H28N4O4S2 — CID 24611364

IUPAC2-(3,4-dimethoxyphenyl)-N-[4-[(2,6-dimethylmorpholin-4-yl)methyl]-1,3-thiazol-2-yl]-4-methyl-1,3-thiazole-5-carboxamide
SMILESCOc1ccc(-c2nc(C)c(C(=O)Nc3nc(CN4CC(C)OC(C)C4)cs3)s2)cc1OC
InChIInChI=1S/C23H28N4O4S2/c1-13-9-27(10-14(2)31-13)11-17-12-32-23(25-17)26-21(28)20-15(3)24-22(33-20)16-6-7-18(29-4)19(8-16)30-5/h6-8,12-14H,9-11H2,1-5H3,(H,25,26,28)
InChIKeyHPSTZNYJNONTNO-UHFFFAOYSA-N
MW488.64 g/mol
LogP4.45
Rot. Bonds7

About 2-(3,4-dimethoxyphenyl)-N-[4-[(2,6-dimethylmorpholin-4-yl)methyl]-1,3-thiazol-2-yl]-4-methyl-1,3-thiazole-5-carboxamide

2-(3,4-dimethoxyphenyl)-N-[4-[(2,6-dimethylmorpholin-4-yl)methyl]-1,3-thiazol-2-yl]-4-methyl-1,3-thiazole-5-carboxamide (PubChem CID 24611364) has the molecular formula C23H28N4O4S2 and a molecular weight of 488.64 g/mol. Its IUPAC name is 2-(3,4-dimethoxyphenyl)-N-[4-[(2,6-dimethylmorpholin-4-yl)methyl]-1,3-thiazol-2-yl]-4-methyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-(3,4-dimethoxyphenyl)-N-[4-[(2,6-dimethylmorpholin-4-yl)methyl]-1,3-thiazol-2-yl]-4-methyl-1,3-thiazole-5-carboxamide
PubChem CID24611364
Molecular FormulaC23H28N4O4S2
Molecular Weight488.64 g/mol
Exact Mass488.16
IUPAC Name2-(3,4-dimethoxyphenyl)-N-[4-[(2,6-dimethylmorpholin-4-yl)methyl]-1,3-thiazol-2-yl]-4-methyl-1,3-thiazole-5-carboxamide
SMILESCOc1ccc(-c2nc(C)c(C(=O)Nc3nc(CN4CC(C)OC(C)C4)cs3)s2)cc1OC
InChIInChI=1S/C23H28N4O4S2/c1-13-9-27(10-14(2)31-13)11-17-12-32-23(25-17)26-21(28)20-15(3)24-22(33-20)16-6-7-18(29-4)19(8-16)30-5/h6-8,12-14H,9-11H2,1-5H3,(H,25,26,28)
InChIKeyHPSTZNYJNONTNO-UHFFFAOYSA-N
XLogP4.45
TPSA85.81 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.64
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

2-(3,4-dimethoxyphenyl)-4-methyl-N-[4-[(3-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-1,3-thiazole-5-carboxamide
CID 46471794
N-[4-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]-1,3-thiazol-2-yl]-3-fluoro-4-methoxybenzamide
CID 25496621
N-[4-[[(2S,6S)-2,6-dimethylmorpholin-4-yl]methyl]-1,3-thiazol-2-yl]-2-methoxybenzamide
CID 30196157
N-[4-[[(2S,6S)-2,6-dimethylmorpholin-4-yl]methyl]-1,3-thiazol-2-yl]-2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]acetamide
CID 30199953
N-[4-[[(3R,5R)-3,5-dimethylpiperidin-1-yl]methyl]-1,3-thiazol-2-yl]-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide
CID 25474469
N-[4-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]-1,3-thiazol-2-yl]-2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]acetamide
CID 30199949
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]-4-methoxy-3-nitrobenzamide
CID 42933449
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]-4-methoxy-2-(methoxymethyl)-5-methylthieno[2,3-d]pyrimidine-6-carboxamide
CID 55507129
N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-4-methyl-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide
CID 55811552
2-(3,4-dimethoxyphenyl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-methyl-1,3-thiazole-5-carboxamide
CID 26692755

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethoxyphenyl)-N-[4-[(2,6-dimethylmorpholin-4-yl)methyl]-1,3-thiazol-2-yl]-4-methyl-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-(3,4-dimethoxyphenyl)-N-[4-[(2,6-dimethylmorpholin-4-yl)methyl]-1,3-thiazol-2-yl]-4-methyl-1,3-thiazole-5-carboxamide (CID 24611364) is 2-(3,4-dimethoxyphenyl)-N-[4-[(2,6-dimethylmorpholin-4-yl)methyl]-1,3-thiazol-2-yl]-4-methyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-(3,4-dimethoxyphenyl)-N-[4-[(2,6-dimethylmorpholin-4-yl)methyl]-1,3-thiazol-2-yl]-4-methyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-(3,4-dimethoxyphenyl)-N-[4-[(2,6-dimethylmorpholin-4-yl)methyl]-1,3-thiazol-2-yl]-4-methyl-1,3-thiazole-5-carboxamide is COc1ccc(-c2nc(C)c(C(=O)Nc3nc(CN4CC(C)OC(C)C4)cs3)s2)cc1OC.
What is the InChIKey of 2-(3,4-dimethoxyphenyl)-N-[4-[(2,6-dimethylmorpholin-4-yl)methyl]-1,3-thiazol-2-yl]-4-methyl-1,3-thiazole-5-carboxamide?
The InChIKey is HPSTZNYJNONTNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O4S2/c1-13-9-27(10-14(2)31-13)11-17-12-32-23(25-17)26-21(28)20-15(3)24-22(33-20)16-6-7-18(29-4)19(8-16)30-5/h6-8,12-14H,9-11H2,1-5H3,(H,25,26,28).
What are the key properties of 2-(3,4-dimethoxyphenyl)-N-[4-[(2,6-dimethylmorpholin-4-yl)methyl]-1,3-thiazol-2-yl]-4-methyl-1,3-thiazole-5-carboxamide?
2-(3,4-dimethoxyphenyl)-N-[4-[(2,6-dimethylmorpholin-4-yl)methyl]-1,3-thiazol-2-yl]-4-methyl-1,3-thiazole-5-carboxamide has a molecular weight of 488.64 g/mol, XLogP of 4.45, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethoxyphenyl)-N-[4-[(2,6-dimethylmorpholin-4-yl)methyl]-1,3-thiazol-2-yl]-4-methyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 24611364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).