N,N-diethyl-2-[2-[4-(4-methylphenyl)-1,3-thiazol-2-yl]pyrrol-1-yl]acetamide

C20H23N3OS — CID 53037462

IUPACN,N-diethyl-2-[2-[4-(4-methylphenyl)-1,3-thiazol-2-yl]pyrrol-1-yl]acetamide
SMILESCCN(CC)C(=O)Cn1cccc1-c1nc(-c2ccc(C)cc2)cs1
InChIInChI=1S/C20H23N3OS/c1-4-22(5-2)19(24)13-23-12-6-7-18(23)20-21-17(14-25-20)16-10-8-15(3)9-11-16/h6-12,14H,4-5,13H2,1-3H3
InChIKeyHTHBZURMDNTKGP-UHFFFAOYSA-N
MW353.49 g/mol
LogP4.46
Rot. Bonds6

About N,N-diethyl-2-[2-[4-(4-methylphenyl)-1,3-thiazol-2-yl]pyrrol-1-yl]acetamide

N,N-diethyl-2-[2-[4-(4-methylphenyl)-1,3-thiazol-2-yl]pyrrol-1-yl]acetamide (PubChem CID 53037462) has the molecular formula C20H23N3OS and a molecular weight of 353.49 g/mol. Its IUPAC name is N,N-diethyl-2-[2-[4-(4-methylphenyl)-1,3-thiazol-2-yl]pyrrol-1-yl]acetamide.

Molecular Properties

Compound NameN,N-diethyl-2-[2-[4-(4-methylphenyl)-1,3-thiazol-2-yl]pyrrol-1-yl]acetamide
PubChem CID53037462
Molecular FormulaC20H23N3OS
Molecular Weight353.49 g/mol
Exact Mass353.16
IUPAC NameN,N-diethyl-2-[2-[4-(4-methylphenyl)-1,3-thiazol-2-yl]pyrrol-1-yl]acetamide
SMILESCCN(CC)C(=O)Cn1cccc1-c1nc(-c2ccc(C)cc2)cs1
InChIInChI=1S/C20H23N3OS/c1-4-22(5-2)19(24)13-23-12-6-7-18(23)20-21-17(14-25-20)16-10-8-15(3)9-11-16/h6-12,14H,4-5,13H2,1-3H3
InChIKeyHTHBZURMDNTKGP-UHFFFAOYSA-N
XLogP4.46
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.49
LogP ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(azepan-1-yl)-2-[2-[4-(4-methylphenyl)-1,3-thiazol-2-yl]pyrrol-1-yl]ethanone
CID 46393435
N-cyclohexyl-2-[2-[4-(4-methylphenyl)-1,3-thiazol-2-yl]pyrrol-1-yl]acetamide
CID 50836966
2-[2-[4-(4-methylphenyl)-1,3-thiazol-2-yl]pyrrol-1-yl]-1-morpholin-4-ylethanone
CID 53037463
N-(4-fluorophenyl)-2-[2-[4-(4-methylphenyl)-1,3-thiazol-2-yl]pyrrol-1-yl]acetamide
CID 50837010
2-[2-[4-(4-methylphenyl)-1,3-thiazol-2-yl]pyrrol-1-yl]-N-(2-morpholin-4-ylethyl)acetamide
CID 53131994
1-[4-(3-chlorophenyl)piperazin-1-yl]-2-[2-[4-(4-methylphenyl)-1,3-thiazol-2-yl]pyrrol-1-yl]ethanone
CID 50837077
2-[2-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]pyrrol-1-yl]-N-(4-methyl-2-pyridinyl)acetamide
CID 50836356
N-(2-methoxy-5-methylphenyl)-2-[2-(4-phenyl-1,3-thiazol-2-yl)pyrrol-1-yl]acetamide
CID 53037423
1-[4-(3-methoxyphenyl)piperazin-1-yl]-2-[2-[4-(4-methylphenyl)-1,3-thiazol-2-yl]pyrrol-1-yl]ethanone
CID 50837034
N-benzyl-2-[2-(4-phenyl-1,3-thiazol-2-yl)pyrrol-1-yl]acetamide
CID 50837140
2-[2-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]pyrrol-1-yl]-N-cyclopropylacetamide
CID 53037477
1,1-diethyl-3-[[4-[4-(4-methylphenyl)-1,3-thiazol-2-yl]phenyl]methyl]urea
CID 108738416

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-[2-[4-(4-methylphenyl)-1,3-thiazol-2-yl]pyrrol-1-yl]acetamide?
The IUPAC name of N,N-diethyl-2-[2-[4-(4-methylphenyl)-1,3-thiazol-2-yl]pyrrol-1-yl]acetamide (CID 53037462) is N,N-diethyl-2-[2-[4-(4-methylphenyl)-1,3-thiazol-2-yl]pyrrol-1-yl]acetamide.
What is the SMILES notation for N,N-diethyl-2-[2-[4-(4-methylphenyl)-1,3-thiazol-2-yl]pyrrol-1-yl]acetamide?
The canonical SMILES for N,N-diethyl-2-[2-[4-(4-methylphenyl)-1,3-thiazol-2-yl]pyrrol-1-yl]acetamide is CCN(CC)C(=O)Cn1cccc1-c1nc(-c2ccc(C)cc2)cs1.
What is the InChIKey of N,N-diethyl-2-[2-[4-(4-methylphenyl)-1,3-thiazol-2-yl]pyrrol-1-yl]acetamide?
The InChIKey is HTHBZURMDNTKGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3OS/c1-4-22(5-2)19(24)13-23-12-6-7-18(23)20-21-17(14-25-20)16-10-8-15(3)9-11-16/h6-12,14H,4-5,13H2,1-3H3.
What are the key properties of N,N-diethyl-2-[2-[4-(4-methylphenyl)-1,3-thiazol-2-yl]pyrrol-1-yl]acetamide?
N,N-diethyl-2-[2-[4-(4-methylphenyl)-1,3-thiazol-2-yl]pyrrol-1-yl]acetamide has a molecular weight of 353.49 g/mol, XLogP of 4.46, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-[2-[4-(4-methylphenyl)-1,3-thiazol-2-yl]pyrrol-1-yl]acetamide is sourced from PubChem (CID 53037462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).