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

C22H19N3OS — CID 50837140

IUPACN-benzyl-2-[2-(4-phenyl-1,3-thiazol-2-yl)pyrrol-1-yl]acetamide
SMILESO=C(Cn1cccc1-c1nc(-c2ccccc2)cs1)NCc1ccccc1
InChIInChI=1S/C22H19N3OS/c26-21(23-14-17-8-3-1-4-9-17)15-25-13-7-12-20(25)22-24-19(16-27-22)18-10-5-2-6-11-18/h1-13,16H,14-15H2,(H,23,26)
InChIKeyBBBRTGLOPCUQSF-UHFFFAOYSA-N
MW373.48 g/mol
LogP4.59
Rot. Bonds6

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

N-benzyl-2-[2-(4-phenyl-1,3-thiazol-2-yl)pyrrol-1-yl]acetamide (PubChem CID 50837140) has the molecular formula C22H19N3OS and a molecular weight of 373.48 g/mol. Its IUPAC name is N-benzyl-2-[2-(4-phenyl-1,3-thiazol-2-yl)pyrrol-1-yl]acetamide.

Molecular Properties

Compound NameN-benzyl-2-[2-(4-phenyl-1,3-thiazol-2-yl)pyrrol-1-yl]acetamide
PubChem CID50837140
Molecular FormulaC22H19N3OS
Molecular Weight373.48 g/mol
Exact Mass373.12
IUPAC NameN-benzyl-2-[2-(4-phenyl-1,3-thiazol-2-yl)pyrrol-1-yl]acetamide
SMILESO=C(Cn1cccc1-c1nc(-c2ccccc2)cs1)NCc1ccccc1
InChIInChI=1S/C22H19N3OS/c26-21(23-14-17-8-3-1-4-9-17)15-25-13-7-12-20(25)22-24-19(16-27-22)18-10-5-2-6-11-18/h1-13,16H,14-15H2,(H,23,26)
InChIKeyBBBRTGLOPCUQSF-UHFFFAOYSA-N
XLogP4.59
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.48
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1,3-benzodioxol-5-ylmethyl)-2-[2-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]pyrrol-1-yl]acetamide
CID 50836635
N-(3,4-difluorophenyl)-2-[2-(4-phenyl-1,3-thiazol-2-yl)pyrrol-1-yl]acetamide
CID 50837076
2-[2-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]pyrrol-1-yl]-N-cyclopropylacetamide
CID 53037477
N-(4-fluorophenyl)-2-[2-[4-(4-methylphenyl)-1,3-thiazol-2-yl]pyrrol-1-yl]acetamide
CID 50837010
N-(2-methoxy-5-methylphenyl)-2-[2-(4-phenyl-1,3-thiazol-2-yl)pyrrol-1-yl]acetamide
CID 53037423
2-[2-[4-(3-bromophenyl)-1,3-thiazol-2-yl]pyrrol-1-yl]acetic acid
CID 112707619
2-[2-[4-(4-methylphenyl)-1,3-thiazol-2-yl]pyrrol-1-yl]-N-(2-morpholin-4-ylethyl)acetamide
CID 53131994
N-[(4-methoxyphenyl)methyl]-2-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrol-1-yl]acetamide
CID 75527010
N-cyclohexyl-2-[2-[4-(4-methylphenyl)-1,3-thiazol-2-yl]pyrrol-1-yl]acetamide
CID 50836966
2-methoxy-N-[[4-(4-phenyl-1,3-thiazol-2-yl)phenyl]methyl]acetamide
CID 108739717
3-(2,4-dioxopyrimidin-1-yl)-N-[[4-(4-phenyl-1,3-thiazol-2-yl)phenyl]methyl]propanamide
CID 108801629
2-phenoxy-N-[[4-(4-phenyl-1,3-thiazol-2-yl)phenyl]methyl]acetamide
CID 108739624

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-[2-(4-phenyl-1,3-thiazol-2-yl)pyrrol-1-yl]acetamide?
The IUPAC name of N-benzyl-2-[2-(4-phenyl-1,3-thiazol-2-yl)pyrrol-1-yl]acetamide (CID 50837140) is N-benzyl-2-[2-(4-phenyl-1,3-thiazol-2-yl)pyrrol-1-yl]acetamide.
What is the SMILES notation for N-benzyl-2-[2-(4-phenyl-1,3-thiazol-2-yl)pyrrol-1-yl]acetamide?
The canonical SMILES for N-benzyl-2-[2-(4-phenyl-1,3-thiazol-2-yl)pyrrol-1-yl]acetamide is O=C(Cn1cccc1-c1nc(-c2ccccc2)cs1)NCc1ccccc1.
What is the InChIKey of N-benzyl-2-[2-(4-phenyl-1,3-thiazol-2-yl)pyrrol-1-yl]acetamide?
The InChIKey is BBBRTGLOPCUQSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N3OS/c26-21(23-14-17-8-3-1-4-9-17)15-25-13-7-12-20(25)22-24-19(16-27-22)18-10-5-2-6-11-18/h1-13,16H,14-15H2,(H,23,26).
What are the key properties of N-benzyl-2-[2-(4-phenyl-1,3-thiazol-2-yl)pyrrol-1-yl]acetamide?
N-benzyl-2-[2-(4-phenyl-1,3-thiazol-2-yl)pyrrol-1-yl]acetamide has a molecular weight of 373.48 g/mol, XLogP of 4.59, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-[2-(4-phenyl-1,3-thiazol-2-yl)pyrrol-1-yl]acetamide is sourced from PubChem (CID 50837140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).