3,4-dimethoxy-N-[5-methyl-3-[(2R)-1-morpholin-4-yl-1-oxopropan-2-yl]-1,3-thiazol-2-ylidene]benzamide

C20H25N3O5S — CID 93305866

IUPAC3,4-dimethoxy-N-[5-methyl-3-[(2R)-1-morpholin-4-yl-1-oxopropan-2-yl]-1,3-thiazol-2-ylidene]benzamide
SMILESCOc1ccc(C(=O)/N=c2\sc(C)cn2[C@H](C)C(=O)N2CCOCC2)cc1OC
InChIInChI=1S/C20H25N3O5S/c1-13-12-23(14(2)19(25)22-7-9-28-10-8-22)20(29-13)21-18(24)15-5-6-16(26-3)17(11-15)27-4/h5-6,11-12,14H,7-10H2,1-4H3/b21-20-/t14-/m1/s1
InChIKeyGSDXGKZRFQBNBN-JTKIUVGSSA-N
MW419.50 g/mol
LogP2.04
Rot. Bonds5

About 3,4-dimethoxy-N-[5-methyl-3-[(2R)-1-morpholin-4-yl-1-oxopropan-2-yl]-1,3-thiazol-2-ylidene]benzamide

3,4-dimethoxy-N-[5-methyl-3-[(2R)-1-morpholin-4-yl-1-oxopropan-2-yl]-1,3-thiazol-2-ylidene]benzamide (PubChem CID 93305866) has the molecular formula C20H25N3O5S and a molecular weight of 419.50 g/mol. Its IUPAC name is 3,4-dimethoxy-N-[5-methyl-3-[(2R)-1-morpholin-4-yl-1-oxopropan-2-yl]-1,3-thiazol-2-ylidene]benzamide.

Molecular Properties

Compound Name3,4-dimethoxy-N-[5-methyl-3-[(2R)-1-morpholin-4-yl-1-oxopropan-2-yl]-1,3-thiazol-2-ylidene]benzamide
PubChem CID93305866
Molecular FormulaC20H25N3O5S
Molecular Weight419.50 g/mol
Exact Mass419.15
IUPAC Name3,4-dimethoxy-N-[5-methyl-3-[(2R)-1-morpholin-4-yl-1-oxopropan-2-yl]-1,3-thiazol-2-ylidene]benzamide
SMILESCOc1ccc(C(=O)/N=c2\sc(C)cn2[C@H](C)C(=O)N2CCOCC2)cc1OC
InChIInChI=1S/C20H25N3O5S/c1-13-12-23(14(2)19(25)22-7-9-28-10-8-22)20(29-13)21-18(24)15-5-6-16(26-3)17(11-15)27-4/h5-6,11-12,14H,7-10H2,1-4H3/b21-20-/t14-/m1/s1
InChIKeyGSDXGKZRFQBNBN-JTKIUVGSSA-N
XLogP2.04
TPSA82.36 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.50
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3,4-dimethoxy-N-[5-methyl-3-[(2R)-1-morpholin-4-yl-1-oxopropan-2-yl]-1,3-thiazol-2-ylidene]benzamide?
The IUPAC name of 3,4-dimethoxy-N-[5-methyl-3-[(2R)-1-morpholin-4-yl-1-oxopropan-2-yl]-1,3-thiazol-2-ylidene]benzamide (CID 93305866) is 3,4-dimethoxy-N-[5-methyl-3-[(2R)-1-morpholin-4-yl-1-oxopropan-2-yl]-1,3-thiazol-2-ylidene]benzamide.
What is the SMILES notation for 3,4-dimethoxy-N-[5-methyl-3-[(2R)-1-morpholin-4-yl-1-oxopropan-2-yl]-1,3-thiazol-2-ylidene]benzamide?
The canonical SMILES for 3,4-dimethoxy-N-[5-methyl-3-[(2R)-1-morpholin-4-yl-1-oxopropan-2-yl]-1,3-thiazol-2-ylidene]benzamide is COc1ccc(C(=O)/N=c2\sc(C)cn2[C@H](C)C(=O)N2CCOCC2)cc1OC.
What is the InChIKey of 3,4-dimethoxy-N-[5-methyl-3-[(2R)-1-morpholin-4-yl-1-oxopropan-2-yl]-1,3-thiazol-2-ylidene]benzamide?
The InChIKey is GSDXGKZRFQBNBN-JTKIUVGSSA-N. The full InChI is InChI=1S/C20H25N3O5S/c1-13-12-23(14(2)19(25)22-7-9-28-10-8-22)20(29-13)21-18(24)15-5-6-16(26-3)17(11-15)27-4/h5-6,11-12,14H,7-10H2,1-4H3/b21-20-/t14-/m1/s1.
What are the key properties of 3,4-dimethoxy-N-[5-methyl-3-[(2R)-1-morpholin-4-yl-1-oxopropan-2-yl]-1,3-thiazol-2-ylidene]benzamide?
3,4-dimethoxy-N-[5-methyl-3-[(2R)-1-morpholin-4-yl-1-oxopropan-2-yl]-1,3-thiazol-2-ylidene]benzamide has a molecular weight of 419.50 g/mol, XLogP of 2.04, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethoxy-N-[5-methyl-3-[(2R)-1-morpholin-4-yl-1-oxopropan-2-yl]-1,3-thiazol-2-ylidene]benzamide is sourced from PubChem (CID 93305866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).