4-acetyl-3-ethyl-5-methyl-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-1H-pyrrole-2-carboxamide

C20H21N3O2S — CID 87012121

IUPAC4-acetyl-3-ethyl-5-methyl-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-1H-pyrrole-2-carboxamide
SMILESCCc1c(C(=O)Nc2cccc(-c3csc(C)n3)c2)[nH]c(C)c1C(C)=O
InChIInChI=1S/C20H21N3O2S/c1-5-16-18(12(3)24)11(2)21-19(16)20(25)23-15-8-6-7-14(9-15)17-10-26-13(4)22-17/h6-10,21H,5H2,1-4H3,(H,23,25)
InChIKeyDHTGHTIPIQGDET-UHFFFAOYSA-N
MW367.47 g/mol
LogP4.77
Rot. Bonds5

About 4-acetyl-3-ethyl-5-methyl-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-1H-pyrrole-2-carboxamide

4-acetyl-3-ethyl-5-methyl-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-1H-pyrrole-2-carboxamide (PubChem CID 87012121) has the molecular formula C20H21N3O2S and a molecular weight of 367.47 g/mol. Its IUPAC name is 4-acetyl-3-ethyl-5-methyl-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-acetyl-3-ethyl-5-methyl-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-1H-pyrrole-2-carboxamide
PubChem CID87012121
Molecular FormulaC20H21N3O2S
Molecular Weight367.47 g/mol
Exact Mass367.14
IUPAC Name4-acetyl-3-ethyl-5-methyl-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-1H-pyrrole-2-carboxamide
SMILESCCc1c(C(=O)Nc2cccc(-c3csc(C)n3)c2)[nH]c(C)c1C(C)=O
InChIInChI=1S/C20H21N3O2S/c1-5-16-18(12(3)24)11(2)21-19(16)20(25)23-15-8-6-7-14(9-15)17-10-26-13(4)22-17/h6-10,21H,5H2,1-4H3,(H,23,25)
InChIKeyDHTGHTIPIQGDET-UHFFFAOYSA-N
XLogP4.77
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.47
LogP ≤ 54.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-1H-indole-2-carboxamide
CID 26312296
N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]benzamide
CID 766934
2,6-dimethoxy-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]benzamide
CID 99582165
2-amino-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]acetamide
CID 43218994
3-bromo-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]benzamide
CID 1362516
2,6-dimethyl-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]pyridine-3-carboxamide
CID 87012122
2,5-dichloro-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]benzamide
CID 30859274
2-(azetidin-3-ylidene)-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]propanamide
CID 116675511
3-fluoro-4-methyl-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]benzamide
CID 26927659
3-(6-methylpyridazin-3-yl)-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]benzamide
CID 169412103
3-(dimethylamino)-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]benzamide
CID 30859281
4-acetyl-5-methyl-N-[4-(5-methylthiophen-2-yl)-1,3-thiazol-2-yl]-3-propyl-1H-pyrrole-2-carboxamide
CID 112838931

Frequently Asked Questions

What is the IUPAC name of 4-acetyl-3-ethyl-5-methyl-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-1H-pyrrole-2-carboxamide?
The IUPAC name of 4-acetyl-3-ethyl-5-methyl-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-1H-pyrrole-2-carboxamide (CID 87012121) is 4-acetyl-3-ethyl-5-methyl-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-1H-pyrrole-2-carboxamide.
What is the SMILES notation for 4-acetyl-3-ethyl-5-methyl-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-1H-pyrrole-2-carboxamide?
The canonical SMILES for 4-acetyl-3-ethyl-5-methyl-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-1H-pyrrole-2-carboxamide is CCc1c(C(=O)Nc2cccc(-c3csc(C)n3)c2)[nH]c(C)c1C(C)=O.
What is the InChIKey of 4-acetyl-3-ethyl-5-methyl-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-1H-pyrrole-2-carboxamide?
The InChIKey is DHTGHTIPIQGDET-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O2S/c1-5-16-18(12(3)24)11(2)21-19(16)20(25)23-15-8-6-7-14(9-15)17-10-26-13(4)22-17/h6-10,21H,5H2,1-4H3,(H,23,25).
What are the key properties of 4-acetyl-3-ethyl-5-methyl-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-1H-pyrrole-2-carboxamide?
4-acetyl-3-ethyl-5-methyl-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-1H-pyrrole-2-carboxamide has a molecular weight of 367.47 g/mol, XLogP of 4.77, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetyl-3-ethyl-5-methyl-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 87012121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).