N-[4-[(2,6-dimethylmorpholin-4-yl)methyl]-1,3-thiazol-2-yl]-3,4-dimethoxy-5-[(E)-prop-1-enyl]benzamide

C22H29N3O4S — CID 24611398

IUPACN-[4-[(2,6-dimethylmorpholin-4-yl)methyl]-1,3-thiazol-2-yl]-3,4-dimethoxy-5-[(E)-prop-1-enyl]benzamide
SMILESC/C=C/c1cc(C(=O)Nc2nc(CN3CC(C)OC(C)C3)cs2)cc(OC)c1OC
InChIInChI=1S/C22H29N3O4S/c1-6-7-16-8-17(9-19(27-4)20(16)28-5)21(26)24-22-23-18(13-30-22)12-25-10-14(2)29-15(3)11-25/h6-9,13-15H,10-12H2,1-5H3,(H,23,24,26)/b7-6+
InChIKeyAYVSUTHYJPRJCR-VOTSOKGWSA-N
MW431.56 g/mol
LogP4.05
Rot. Bonds7

About N-[4-[(2,6-dimethylmorpholin-4-yl)methyl]-1,3-thiazol-2-yl]-3,4-dimethoxy-5-[(E)-prop-1-enyl]benzamide

N-[4-[(2,6-dimethylmorpholin-4-yl)methyl]-1,3-thiazol-2-yl]-3,4-dimethoxy-5-[(E)-prop-1-enyl]benzamide (PubChem CID 24611398) has the molecular formula C22H29N3O4S and a molecular weight of 431.56 g/mol. Its IUPAC name is N-[4-[(2,6-dimethylmorpholin-4-yl)methyl]-1,3-thiazol-2-yl]-3,4-dimethoxy-5-[(E)-prop-1-enyl]benzamide.

Molecular Properties

Compound NameN-[4-[(2,6-dimethylmorpholin-4-yl)methyl]-1,3-thiazol-2-yl]-3,4-dimethoxy-5-[(E)-prop-1-enyl]benzamide
PubChem CID24611398
Molecular FormulaC22H29N3O4S
Molecular Weight431.56 g/mol
Exact Mass431.19
IUPAC NameN-[4-[(2,6-dimethylmorpholin-4-yl)methyl]-1,3-thiazol-2-yl]-3,4-dimethoxy-5-[(E)-prop-1-enyl]benzamide
SMILESC/C=C/c1cc(C(=O)Nc2nc(CN3CC(C)OC(C)C3)cs2)cc(OC)c1OC
InChIInChI=1S/C22H29N3O4S/c1-6-7-16-8-17(9-19(27-4)20(16)28-5)21(26)24-22-23-18(13-30-22)12-25-10-14(2)29-15(3)11-25/h6-9,13-15H,10-12H2,1-5H3,(H,23,24,26)/b7-6+
InChIKeyAYVSUTHYJPRJCR-VOTSOKGWSA-N
XLogP4.05
TPSA72.92 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.56
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

3,4-dimethoxy-N-[4-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-5-[(E)-prop-1-enyl]benzamide
CID 24611027
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-[(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-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]-1,3-thiazol-2-yl]-2H-benzotriazole-5-carboxamide
CID 30197869
2-chloro-N-[4-[(2,6-dimethylmorpholin-4-yl)methyl]-1,3-thiazol-2-yl]pyridine-4-carboxamide
CID 55520784
3-(dimethylamino)-N-[4-[(2,6-dimethylmorpholin-4-yl)methyl]-1,3-thiazol-2-yl]benzamide
CID 47018230
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-methylcyclopropane-1-carboxamide
CID 51324198
4-(difluoromethoxy)-N-[4-[[(2S,6S)-2,6-dimethylmorpholin-4-yl]methyl]-1,3-thiazol-2-yl]benzamide
CID 25487753
N-[4-[(2,6-dimethylmorpholin-4-yl)methyl]-1,3-thiazol-2-yl]-4-(1,3-thiazol-4-ylmethoxy)benzamide
CID 24611330

Frequently Asked Questions

What is the IUPAC name of N-[4-[(2,6-dimethylmorpholin-4-yl)methyl]-1,3-thiazol-2-yl]-3,4-dimethoxy-5-[(E)-prop-1-enyl]benzamide?
The IUPAC name of N-[4-[(2,6-dimethylmorpholin-4-yl)methyl]-1,3-thiazol-2-yl]-3,4-dimethoxy-5-[(E)-prop-1-enyl]benzamide (CID 24611398) is N-[4-[(2,6-dimethylmorpholin-4-yl)methyl]-1,3-thiazol-2-yl]-3,4-dimethoxy-5-[(E)-prop-1-enyl]benzamide.
What is the SMILES notation for N-[4-[(2,6-dimethylmorpholin-4-yl)methyl]-1,3-thiazol-2-yl]-3,4-dimethoxy-5-[(E)-prop-1-enyl]benzamide?
The canonical SMILES for N-[4-[(2,6-dimethylmorpholin-4-yl)methyl]-1,3-thiazol-2-yl]-3,4-dimethoxy-5-[(E)-prop-1-enyl]benzamide is C/C=C/c1cc(C(=O)Nc2nc(CN3CC(C)OC(C)C3)cs2)cc(OC)c1OC.
What is the InChIKey of N-[4-[(2,6-dimethylmorpholin-4-yl)methyl]-1,3-thiazol-2-yl]-3,4-dimethoxy-5-[(E)-prop-1-enyl]benzamide?
The InChIKey is AYVSUTHYJPRJCR-VOTSOKGWSA-N. The full InChI is InChI=1S/C22H29N3O4S/c1-6-7-16-8-17(9-19(27-4)20(16)28-5)21(26)24-22-23-18(13-30-22)12-25-10-14(2)29-15(3)11-25/h6-9,13-15H,10-12H2,1-5H3,(H,23,24,26)/b7-6+.
What are the key properties of N-[4-[(2,6-dimethylmorpholin-4-yl)methyl]-1,3-thiazol-2-yl]-3,4-dimethoxy-5-[(E)-prop-1-enyl]benzamide?
N-[4-[(2,6-dimethylmorpholin-4-yl)methyl]-1,3-thiazol-2-yl]-3,4-dimethoxy-5-[(E)-prop-1-enyl]benzamide has a molecular weight of 431.56 g/mol, XLogP of 4.05, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(2,6-dimethylmorpholin-4-yl)methyl]-1,3-thiazol-2-yl]-3,4-dimethoxy-5-[(E)-prop-1-enyl]benzamide is sourced from PubChem (CID 24611398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).