N-[4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-(1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)acetamide

C21H24N4O3S — CID 55437110

IUPACN-[4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-(1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)acetamide
SMILESCOc1ccc(-c2csc(NC(=O)CN3CCn4cccc4C3C)n2)c(OC)c1
InChIInChI=1S/C21H24N4O3S/c1-14-18-5-4-8-24(18)9-10-25(14)12-20(26)23-21-22-17(13-29-21)16-7-6-15(27-2)11-19(16)28-3/h4-8,11,13-14H,9-10,12H2,1-3H3,(H,22,23,26)
InChIKeyVJKRZIKSWOYENV-UHFFFAOYSA-N
MW412.52 g/mol
LogP3.64
Rot. Bonds6

About N-[4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-(1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)acetamide

N-[4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-(1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)acetamide (PubChem CID 55437110) has the molecular formula C21H24N4O3S and a molecular weight of 412.52 g/mol. Its IUPAC name is N-[4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-(1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)acetamide.

Molecular Properties

Compound NameN-[4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-(1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)acetamide
PubChem CID55437110
Molecular FormulaC21H24N4O3S
Molecular Weight412.52 g/mol
Exact Mass412.16
IUPAC NameN-[4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-(1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)acetamide
SMILESCOc1ccc(-c2csc(NC(=O)CN3CCn4cccc4C3C)n2)c(OC)c1
InChIInChI=1S/C21H24N4O3S/c1-14-18-5-4-8-24(18)9-10-25(14)12-20(26)23-21-22-17(13-29-21)16-7-6-15(27-2)11-19(16)28-3/h4-8,11,13-14H,9-10,12H2,1-3H3,(H,22,23,26)
InChIKeyVJKRZIKSWOYENV-UHFFFAOYSA-N
XLogP3.64
TPSA68.62 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.52
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-(2-phenylpyrrolidin-1-yl)acetamide
CID 55499177
N-[4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-(2,6-dimethylmorpholin-4-yl)acetamide
CID 24593603
N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-(1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)acetamide
CID 55437111
2-(4-benzoylpiperazin-1-yl)-N-[4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]acetamide
CID 24594067
N-[4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]acetamide
CID 24593769
2-[4-(2-chlorophenyl)piperazin-1-yl]-N-[4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]acetamide
CID 46558789
2-[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]-N-[4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]acetamide
CID 29415371
N-[4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-[2-(4-fluorophenyl)morpholin-4-yl]acetamide
CID 46571445
N-[4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-(4-fluorophenyl)sulfanylacetamide
CID 7254805
tert-butyl 4-[[4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]carbamoyl]piperidine-1-carboxylate
CID 46667929
N-[4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)acetamide
CID 30398691
N-[4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-(4-methylsulfanylphenyl)acetamide
CID 18586800

Frequently Asked Questions

What is the IUPAC name of N-[4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-(1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)acetamide?
The IUPAC name of N-[4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-(1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)acetamide (CID 55437110) is N-[4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-(1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)acetamide.
What is the SMILES notation for N-[4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-(1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)acetamide?
The canonical SMILES for N-[4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-(1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)acetamide is COc1ccc(-c2csc(NC(=O)CN3CCn4cccc4C3C)n2)c(OC)c1.
What is the InChIKey of N-[4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-(1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)acetamide?
The InChIKey is VJKRZIKSWOYENV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O3S/c1-14-18-5-4-8-24(18)9-10-25(14)12-20(26)23-21-22-17(13-29-21)16-7-6-15(27-2)11-19(16)28-3/h4-8,11,13-14H,9-10,12H2,1-3H3,(H,22,23,26).
What are the key properties of N-[4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-(1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)acetamide?
N-[4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-(1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)acetamide has a molecular weight of 412.52 g/mol, XLogP of 3.64, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-(1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)acetamide is sourced from PubChem (CID 55437110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).