N-(3-benzyl-1,3-thiazol-2-ylidene)-4,6,7-trimethoxy-1H-indole-2-carboxamide

C22H21N3O4S — CID 38486353

IUPACN-(3-benzyl-1,3-thiazol-2-ylidene)-4,6,7-trimethoxy-1H-indole-2-carboxamide
SMILESCOc1cc(OC)c2cc(C(=O)/N=c3\sccn3Cc3ccccc3)[nH]c2c1OC
InChIInChI=1S/C22H21N3O4S/c1-27-17-12-18(28-2)20(29-3)19-15(17)11-16(23-19)21(26)24-22-25(9-10-30-22)13-14-7-5-4-6-8-14/h4-12,23H,13H2,1-3H3/b24-22-
InChIKeyUJRJGEUBUSGVFC-GYHWCHFESA-N
MW423.49 g/mol
LogP3.85
Rot. Bonds6

About N-(3-benzyl-1,3-thiazol-2-ylidene)-4,6,7-trimethoxy-1H-indole-2-carboxamide

N-(3-benzyl-1,3-thiazol-2-ylidene)-4,6,7-trimethoxy-1H-indole-2-carboxamide (PubChem CID 38486353) has the molecular formula C22H21N3O4S and a molecular weight of 423.49 g/mol. Its IUPAC name is N-(3-benzyl-1,3-thiazol-2-ylidene)-4,6,7-trimethoxy-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-(3-benzyl-1,3-thiazol-2-ylidene)-4,6,7-trimethoxy-1H-indole-2-carboxamide
PubChem CID38486353
Molecular FormulaC22H21N3O4S
Molecular Weight423.49 g/mol
Exact Mass423.13
IUPAC NameN-(3-benzyl-1,3-thiazol-2-ylidene)-4,6,7-trimethoxy-1H-indole-2-carboxamide
SMILESCOc1cc(OC)c2cc(C(=O)/N=c3\sccn3Cc3ccccc3)[nH]c2c1OC
InChIInChI=1S/C22H21N3O4S/c1-27-17-12-18(28-2)20(29-3)19-15(17)11-16(23-19)21(26)24-22-25(9-10-30-22)13-14-7-5-4-6-8-14/h4-12,23H,13H2,1-3H3/b24-22-
InChIKeyUJRJGEUBUSGVFC-GYHWCHFESA-N
XLogP3.85
TPSA77.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.49
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3-benzyl-1,3-thiazol-2-ylidene)-3-methyl-1,2-oxazole-5-carboxamide
CID 38272852
2-(2-amino-2-oxoethoxy)-N-(3-benzyl-1,3-thiazol-2-ylidene)benzamide
CID 24524444
N-(2-benzyl-5-methylpyrazol-3-yl)-4,6,7-trimethoxy-1H-indole-2-carboxamide
CID 60571041
N-(3-benzyl-1,3-thiazol-2-ylidene)-2-phenyl-1,3-thiazole-4-carboxamide
CID 18293281
N-(3-benzyl-1,3-thiazol-2-ylidene)-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide
CID 18285459
N-(3-benzyl-1,3-thiazol-2-ylidene)-3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 24607678
N-(3-benzyl-1,3-thiazol-2-ylidene)-1-methylsulfonylpiperidine-4-carboxamide
CID 18209405
N-[3-[(4-methylphenyl)methyl]-1,3-thiazol-2-ylidene]-4-oxo-3H-phthalazine-1-carboxamide
CID 24653558
4-fluoro-N-[3-[(4-methylphenyl)methyl]-1,3-thiazol-2-ylidene]benzamide
CID 7930627
1-(3-benzyl-1,3-thiazol-2-ylidene)-3-propan-2-ylthiourea
CID 9098389
N-[3-[(4-methylphenyl)methyl]-1,3-thiazol-2-ylidene]-3-[[(R)-methylsulfinyl]methyl]benzamide
CID 38162185
N-[3-[(4-methylphenyl)methyl]-1,3-thiazol-2-ylidene]-2-(2-oxo-1-pyridinyl)acetamide
CID 24660441

Frequently Asked Questions

What is the IUPAC name of N-(3-benzyl-1,3-thiazol-2-ylidene)-4,6,7-trimethoxy-1H-indole-2-carboxamide?
The IUPAC name of N-(3-benzyl-1,3-thiazol-2-ylidene)-4,6,7-trimethoxy-1H-indole-2-carboxamide (CID 38486353) is N-(3-benzyl-1,3-thiazol-2-ylidene)-4,6,7-trimethoxy-1H-indole-2-carboxamide.
What is the SMILES notation for N-(3-benzyl-1,3-thiazol-2-ylidene)-4,6,7-trimethoxy-1H-indole-2-carboxamide?
The canonical SMILES for N-(3-benzyl-1,3-thiazol-2-ylidene)-4,6,7-trimethoxy-1H-indole-2-carboxamide is COc1cc(OC)c2cc(C(=O)/N=c3\sccn3Cc3ccccc3)[nH]c2c1OC.
What is the InChIKey of N-(3-benzyl-1,3-thiazol-2-ylidene)-4,6,7-trimethoxy-1H-indole-2-carboxamide?
The InChIKey is UJRJGEUBUSGVFC-GYHWCHFESA-N. The full InChI is InChI=1S/C22H21N3O4S/c1-27-17-12-18(28-2)20(29-3)19-15(17)11-16(23-19)21(26)24-22-25(9-10-30-22)13-14-7-5-4-6-8-14/h4-12,23H,13H2,1-3H3/b24-22-.
What are the key properties of N-(3-benzyl-1,3-thiazol-2-ylidene)-4,6,7-trimethoxy-1H-indole-2-carboxamide?
N-(3-benzyl-1,3-thiazol-2-ylidene)-4,6,7-trimethoxy-1H-indole-2-carboxamide has a molecular weight of 423.49 g/mol, XLogP of 3.85, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-benzyl-1,3-thiazol-2-ylidene)-4,6,7-trimethoxy-1H-indole-2-carboxamide is sourced from PubChem (CID 38486353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).