4-acetamido-N-[4-(2,5-dimethyl-1-propylpyrrol-3-yl)-1,3-thiazol-2-yl]benzamide

C21H24N4O2S — CID 2457145

IUPAC4-acetamido-N-[4-(2,5-dimethyl-1-propylpyrrol-3-yl)-1,3-thiazol-2-yl]benzamide
SMILESCCCn1c(C)cc(-c2csc(NC(=O)c3ccc(NC(C)=O)cc3)n2)c1C
InChIInChI=1S/C21H24N4O2S/c1-5-10-25-13(2)11-18(14(25)3)19-12-28-21(23-19)24-20(27)16-6-8-17(9-7-16)22-15(4)26/h6-9,11-12H,5,10H2,1-4H3,(H,22,26)(H,23,24,27)
InChIKeyRCVXWTRMMPKVAL-UHFFFAOYSA-N
MW396.52 g/mol
LogP4.85
Rot. Bonds6

About 4-acetamido-N-[4-(2,5-dimethyl-1-propylpyrrol-3-yl)-1,3-thiazol-2-yl]benzamide

4-acetamido-N-[4-(2,5-dimethyl-1-propylpyrrol-3-yl)-1,3-thiazol-2-yl]benzamide (PubChem CID 2457145) has the molecular formula C21H24N4O2S and a molecular weight of 396.52 g/mol. Its IUPAC name is 4-acetamido-N-[4-(2,5-dimethyl-1-propylpyrrol-3-yl)-1,3-thiazol-2-yl]benzamide.

Molecular Properties

Compound Name4-acetamido-N-[4-(2,5-dimethyl-1-propylpyrrol-3-yl)-1,3-thiazol-2-yl]benzamide
PubChem CID2457145
Molecular FormulaC21H24N4O2S
Molecular Weight396.52 g/mol
Exact Mass396.16
IUPAC Name4-acetamido-N-[4-(2,5-dimethyl-1-propylpyrrol-3-yl)-1,3-thiazol-2-yl]benzamide
SMILESCCCn1c(C)cc(-c2csc(NC(=O)c3ccc(NC(C)=O)cc3)n2)c1C
InChIInChI=1S/C21H24N4O2S/c1-5-10-25-13(2)11-18(14(25)3)19-12-28-21(23-19)24-20(27)16-6-8-17(9-7-16)22-15(4)26/h6-9,11-12H,5,10H2,1-4H3,(H,22,26)(H,23,24,27)
InChIKeyRCVXWTRMMPKVAL-UHFFFAOYSA-N
XLogP4.85
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.52
LogP ≤ 54.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(2,5-dimethyl-1-propylpyrrol-3-yl)-1,3-thiazol-2-yl]-3-(methanesulfonamido)-4-methylbenzamide
CID 25331187
4-acetamido-N-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]benzamide
CID 4844502
N-[4-(2,5-dimethyl-1-propylpyrrol-3-yl)-1,3-thiazol-2-yl]-3-ethyl-4-oxophthalazine-1-carboxamide
CID 4784781
4-acetamido-N-[4-(2,5-dichlorophenyl)-1,3-thiazol-2-yl]benzamide
CID 30731933
N-[4-(2,5-dimethyl-1-propylpyrrol-3-yl)-1,3-thiazol-2-yl]-2-(2-methoxyphenoxy)acetamide
CID 2117243
4-(2,5-dimethyl-1-propylpyrrol-3-yl)-N-(2-methoxyethyl)-1,3-thiazol-2-amine
CID 8961977
4-acetamido-N-[4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-yl]benzamide;molecular hydrogen
CID 144822338
4-(2-amino-2-oxoethoxy)-N-[4-(2,5-dimethyl-1-prop-2-enylpyrrol-3-yl)-1,3-thiazol-2-yl]benzamide
CID 17466318
N-[4-(1-benzyl-2,5-dimethylpyrrol-3-yl)-1,3-thiazol-2-yl]-6-oxo-1H-pyridine-3-carboxamide
CID 2452631
4-acetamido-N-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]benzamide
CID 2463728
4-acetamido-N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]benzamide
CID 7923619
4-acetamido-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]benzamide
CID 2090772

Frequently Asked Questions

What is the IUPAC name of 4-acetamido-N-[4-(2,5-dimethyl-1-propylpyrrol-3-yl)-1,3-thiazol-2-yl]benzamide?
The IUPAC name of 4-acetamido-N-[4-(2,5-dimethyl-1-propylpyrrol-3-yl)-1,3-thiazol-2-yl]benzamide (CID 2457145) is 4-acetamido-N-[4-(2,5-dimethyl-1-propylpyrrol-3-yl)-1,3-thiazol-2-yl]benzamide.
What is the SMILES notation for 4-acetamido-N-[4-(2,5-dimethyl-1-propylpyrrol-3-yl)-1,3-thiazol-2-yl]benzamide?
The canonical SMILES for 4-acetamido-N-[4-(2,5-dimethyl-1-propylpyrrol-3-yl)-1,3-thiazol-2-yl]benzamide is CCCn1c(C)cc(-c2csc(NC(=O)c3ccc(NC(C)=O)cc3)n2)c1C.
What is the InChIKey of 4-acetamido-N-[4-(2,5-dimethyl-1-propylpyrrol-3-yl)-1,3-thiazol-2-yl]benzamide?
The InChIKey is RCVXWTRMMPKVAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O2S/c1-5-10-25-13(2)11-18(14(25)3)19-12-28-21(23-19)24-20(27)16-6-8-17(9-7-16)22-15(4)26/h6-9,11-12H,5,10H2,1-4H3,(H,22,26)(H,23,24,27).
What are the key properties of 4-acetamido-N-[4-(2,5-dimethyl-1-propylpyrrol-3-yl)-1,3-thiazol-2-yl]benzamide?
4-acetamido-N-[4-(2,5-dimethyl-1-propylpyrrol-3-yl)-1,3-thiazol-2-yl]benzamide has a molecular weight of 396.52 g/mol, XLogP of 4.85, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetamido-N-[4-(2,5-dimethyl-1-propylpyrrol-3-yl)-1,3-thiazol-2-yl]benzamide is sourced from PubChem (CID 2457145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).