N-(4-methyl-2-pyridinyl)-2-[2-(4-phenyl-1,3-thiazol-2-yl)pyrrol-1-yl]acetamide

C21H18N4OS — CID 53037410

IUPACN-(4-methyl-2-pyridinyl)-2-[2-(4-phenyl-1,3-thiazol-2-yl)pyrrol-1-yl]acetamide
SMILESCc1ccnc(NC(=O)Cn2cccc2-c2nc(-c3ccccc3)cs2)c1
InChIInChI=1S/C21H18N4OS/c1-15-9-10-22-19(12-15)24-20(26)13-25-11-5-8-18(25)21-23-17(14-27-21)16-6-3-2-4-7-16/h2-12,14H,13H2,1H3,(H,22,24,26)
InChIKeyLWVVZZBFVJOFGA-UHFFFAOYSA-N
MW374.47 g/mol
LogP4.62
Rot. Bonds5

About N-(4-methyl-2-pyridinyl)-2-[2-(4-phenyl-1,3-thiazol-2-yl)pyrrol-1-yl]acetamide

N-(4-methyl-2-pyridinyl)-2-[2-(4-phenyl-1,3-thiazol-2-yl)pyrrol-1-yl]acetamide (PubChem CID 53037410) has the molecular formula C21H18N4OS and a molecular weight of 374.47 g/mol. Its IUPAC name is N-(4-methyl-2-pyridinyl)-2-[2-(4-phenyl-1,3-thiazol-2-yl)pyrrol-1-yl]acetamide.

Molecular Properties

Compound NameN-(4-methyl-2-pyridinyl)-2-[2-(4-phenyl-1,3-thiazol-2-yl)pyrrol-1-yl]acetamide
PubChem CID53037410
Molecular FormulaC21H18N4OS
Molecular Weight374.47 g/mol
Exact Mass374.12
IUPAC NameN-(4-methyl-2-pyridinyl)-2-[2-(4-phenyl-1,3-thiazol-2-yl)pyrrol-1-yl]acetamide
SMILESCc1ccnc(NC(=O)Cn2cccc2-c2nc(-c3ccccc3)cs2)c1
InChIInChI=1S/C21H18N4OS/c1-15-9-10-22-19(12-15)24-20(26)13-25-11-5-8-18(25)21-23-17(14-27-21)16-6-3-2-4-7-16/h2-12,14H,13H2,1H3,(H,22,24,26)
InChIKeyLWVVZZBFVJOFGA-UHFFFAOYSA-N
XLogP4.62
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.47
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(4-methyl-2-pyridinyl)-2-[2-(4-phenyl-1,3-thiazol-2-yl)pyrrol-1-yl]acetamide?
The IUPAC name of N-(4-methyl-2-pyridinyl)-2-[2-(4-phenyl-1,3-thiazol-2-yl)pyrrol-1-yl]acetamide (CID 53037410) is N-(4-methyl-2-pyridinyl)-2-[2-(4-phenyl-1,3-thiazol-2-yl)pyrrol-1-yl]acetamide.
What is the SMILES notation for N-(4-methyl-2-pyridinyl)-2-[2-(4-phenyl-1,3-thiazol-2-yl)pyrrol-1-yl]acetamide?
The canonical SMILES for N-(4-methyl-2-pyridinyl)-2-[2-(4-phenyl-1,3-thiazol-2-yl)pyrrol-1-yl]acetamide is Cc1ccnc(NC(=O)Cn2cccc2-c2nc(-c3ccccc3)cs2)c1.
What is the InChIKey of N-(4-methyl-2-pyridinyl)-2-[2-(4-phenyl-1,3-thiazol-2-yl)pyrrol-1-yl]acetamide?
The InChIKey is LWVVZZBFVJOFGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N4OS/c1-15-9-10-22-19(12-15)24-20(26)13-25-11-5-8-18(25)21-23-17(14-27-21)16-6-3-2-4-7-16/h2-12,14H,13H2,1H3,(H,22,24,26).
What are the key properties of N-(4-methyl-2-pyridinyl)-2-[2-(4-phenyl-1,3-thiazol-2-yl)pyrrol-1-yl]acetamide?
N-(4-methyl-2-pyridinyl)-2-[2-(4-phenyl-1,3-thiazol-2-yl)pyrrol-1-yl]acetamide has a molecular weight of 374.47 g/mol, XLogP of 4.62, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methyl-2-pyridinyl)-2-[2-(4-phenyl-1,3-thiazol-2-yl)pyrrol-1-yl]acetamide is sourced from PubChem (CID 53037410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).