2-[4-[1-(2-methoxyethyl)-2,5-dimethylpyrrol-3-yl]-1,3-thiazol-2-yl]acetamide

C14H19N3O2S — CID 9173988

IUPAC2-[4-[1-(2-methoxyethyl)-2,5-dimethylpyrrol-3-yl]-1,3-thiazol-2-yl]acetamide
SMILESCOCCn1c(C)cc(-c2csc(CC(N)=O)n2)c1C
InChIInChI=1S/C14H19N3O2S/c1-9-6-11(10(2)17(9)4-5-19-3)12-8-20-14(16-12)7-13(15)18/h6,8H,4-5,7H2,1-3H3,(H2,15,18)
InChIKeyNSVLGDVSWIZFDM-UHFFFAOYSA-N
MW293.39 g/mol
LogP1.90
Rot. Bonds6

About 2-[4-[1-(2-methoxyethyl)-2,5-dimethylpyrrol-3-yl]-1,3-thiazol-2-yl]acetamide

2-[4-[1-(2-methoxyethyl)-2,5-dimethylpyrrol-3-yl]-1,3-thiazol-2-yl]acetamide (PubChem CID 9173988) has the molecular formula C14H19N3O2S and a molecular weight of 293.39 g/mol. Its IUPAC name is 2-[4-[1-(2-methoxyethyl)-2,5-dimethylpyrrol-3-yl]-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound Name2-[4-[1-(2-methoxyethyl)-2,5-dimethylpyrrol-3-yl]-1,3-thiazol-2-yl]acetamide
PubChem CID9173988
Molecular FormulaC14H19N3O2S
Molecular Weight293.39 g/mol
Exact Mass293.12
IUPAC Name2-[4-[1-(2-methoxyethyl)-2,5-dimethylpyrrol-3-yl]-1,3-thiazol-2-yl]acetamide
SMILESCOCCn1c(C)cc(-c2csc(CC(N)=O)n2)c1C
InChIInChI=1S/C14H19N3O2S/c1-9-6-11(10(2)17(9)4-5-19-3)12-8-20-14(16-12)7-13(15)18/h6,8H,4-5,7H2,1-3H3,(H2,15,18)
InChIKeyNSVLGDVSWIZFDM-UHFFFAOYSA-N
XLogP1.90
TPSA70.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.39
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[1-(2-methoxyethyl)-2,5-dimethylpyrrol-3-yl]-N-propyl-1,3-thiazol-2-amine
CID 8962711
4-[1-(2-methoxyethyl)-2,5-dimethylpyrrol-3-yl]-N-(4-methoxyphenyl)-1,3-thiazol-2-amine
CID 3556747
2-[4-[1-(3-fluorophenyl)-2,5-dimethylpyrrol-3-yl]-1,3-thiazol-2-yl]acetamide
CID 9174059
methyl 4-[2,5-dimethyl-3-[2-[2-(4-methylanilino)-2-oxoethyl]-1,3-thiazol-4-yl]pyrrol-1-yl]butanoate
CID 154774198
methyl 4-[3-(2-amino-1,3-thiazol-4-yl)-2,5-dimethylpyrrol-1-yl]butanoate
CID 8878284
4-(2,5-dimethyl-1-propylpyrrol-3-yl)-N-(2-methoxyethyl)-1,3-thiazol-2-amine
CID 8961977
2-[4-[2,5-dimethyl-1-(2-phenylethyl)pyrrol-3-yl]-1,3-thiazol-2-yl]-1-morpholin-4-ylethanone
CID 17418164
methyl 3-[3-[2-(4-methoxyanilino)-1,3-thiazol-4-yl]-2,5-dimethylpyrrol-1-yl]propanoate
CID 8962536
4-(1-butyl-2,5-dimethylpyrrol-3-yl)-1,3-thiazol-2-amine
CID 116791225
[4-[2,5-dimethyl-1-(2,2,2-trifluoroethyl)pyrrol-3-yl]-1,3-thiazol-2-yl]methanol
CID 71979916
N-(4-methylphenyl)-2-[4-(1,2,5-trimethylpyrrol-3-yl)-1,3-thiazol-2-yl]acetamide
CID 8962875
4-[1-[2-(4-methoxyphenyl)ethyl]-2,5-dimethylpyrrol-3-yl]-1,3-thiazol-2-amine
CID 4789569

Frequently Asked Questions

What is the IUPAC name of 2-[4-[1-(2-methoxyethyl)-2,5-dimethylpyrrol-3-yl]-1,3-thiazol-2-yl]acetamide?
The IUPAC name of 2-[4-[1-(2-methoxyethyl)-2,5-dimethylpyrrol-3-yl]-1,3-thiazol-2-yl]acetamide (CID 9173988) is 2-[4-[1-(2-methoxyethyl)-2,5-dimethylpyrrol-3-yl]-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for 2-[4-[1-(2-methoxyethyl)-2,5-dimethylpyrrol-3-yl]-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for 2-[4-[1-(2-methoxyethyl)-2,5-dimethylpyrrol-3-yl]-1,3-thiazol-2-yl]acetamide is COCCn1c(C)cc(-c2csc(CC(N)=O)n2)c1C.
What is the InChIKey of 2-[4-[1-(2-methoxyethyl)-2,5-dimethylpyrrol-3-yl]-1,3-thiazol-2-yl]acetamide?
The InChIKey is NSVLGDVSWIZFDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2S/c1-9-6-11(10(2)17(9)4-5-19-3)12-8-20-14(16-12)7-13(15)18/h6,8H,4-5,7H2,1-3H3,(H2,15,18).
What are the key properties of 2-[4-[1-(2-methoxyethyl)-2,5-dimethylpyrrol-3-yl]-1,3-thiazol-2-yl]acetamide?
2-[4-[1-(2-methoxyethyl)-2,5-dimethylpyrrol-3-yl]-1,3-thiazol-2-yl]acetamide has a molecular weight of 293.39 g/mol, XLogP of 1.90, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[1-(2-methoxyethyl)-2,5-dimethylpyrrol-3-yl]-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 9173988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).