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

C19H16N4OS — CID 34335845

IUPACN-(benzimidazol-1-yl)-2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]acetamide
SMILESCc1cccc(-c2nc(CC(=O)Nn3cnc4ccccc43)cs2)c1
InChIInChI=1S/C19H16N4OS/c1-13-5-4-6-14(9-13)19-21-15(11-25-19)10-18(24)22-23-12-20-16-7-2-3-8-17(16)23/h2-9,11-12H,10H2,1H3,(H,22,24)
InChIKeyWLGLRSTZRFYJSW-UHFFFAOYSA-N
MW348.43 g/mol
LogP3.78
Rot. Bonds4

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

N-(benzimidazol-1-yl)-2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]acetamide (PubChem CID 34335845) has the molecular formula C19H16N4OS and a molecular weight of 348.43 g/mol. Its IUPAC name is N-(benzimidazol-1-yl)-2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]acetamide.

Molecular Properties

Compound NameN-(benzimidazol-1-yl)-2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]acetamide
PubChem CID34335845
Molecular FormulaC19H16N4OS
Molecular Weight348.43 g/mol
Exact Mass348.10
IUPAC NameN-(benzimidazol-1-yl)-2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]acetamide
SMILESCc1cccc(-c2nc(CC(=O)Nn3cnc4ccccc43)cs2)c1
InChIInChI=1S/C19H16N4OS/c1-13-5-4-6-14(9-13)19-21-15(11-25-19)10-18(24)22-23-12-20-16-7-2-3-8-17(16)23/h2-9,11-12H,10H2,1H3,(H,22,24)
InChIKeyWLGLRSTZRFYJSW-UHFFFAOYSA-N
XLogP3.78
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.43
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-cyclopropyl-2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]acetamide
CID 17438306
2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]-N-(1,3,4-thiadiazol-2-yl)acetamide
CID 29370077
N-(2-bromo-4-methylphenyl)-2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]acetamide
CID 26737607
N,N-diethyl-2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]acetamide
CID 78809222
N-[2-(tert-butylamino)-2-oxoethyl]-2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]acetamide
CID 41276962
N-[2-(ethylamino)ethyl]-2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]acetamide
CID 119509228
N-(3-aminobutyl)-2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]acetamide;dihydrochloride
CID 119499385
N-(benzimidazol-1-yl)-2-imidazo[2,1-b][1,3]thiazol-6-ylacetamide
CID 35983863
N-(3-amino-2-methylpropyl)-2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]acetamide
CID 119995232
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]acetamide
CID 17449852
N-(2,5-difluorophenyl)-2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]acetamide
CID 60594922
2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]-N-[(2-nitrophenyl)methyl]acetamide
CID 78891113

Frequently Asked Questions

What is the IUPAC name of N-(benzimidazol-1-yl)-2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]acetamide?
The IUPAC name of N-(benzimidazol-1-yl)-2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]acetamide (CID 34335845) is N-(benzimidazol-1-yl)-2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]acetamide.
What is the SMILES notation for N-(benzimidazol-1-yl)-2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]acetamide?
The canonical SMILES for N-(benzimidazol-1-yl)-2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]acetamide is Cc1cccc(-c2nc(CC(=O)Nn3cnc4ccccc43)cs2)c1.
What is the InChIKey of N-(benzimidazol-1-yl)-2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]acetamide?
The InChIKey is WLGLRSTZRFYJSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4OS/c1-13-5-4-6-14(9-13)19-21-15(11-25-19)10-18(24)22-23-12-20-16-7-2-3-8-17(16)23/h2-9,11-12H,10H2,1H3,(H,22,24).
What are the key properties of N-(benzimidazol-1-yl)-2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]acetamide?
N-(benzimidazol-1-yl)-2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]acetamide has a molecular weight of 348.43 g/mol, XLogP of 3.78, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(benzimidazol-1-yl)-2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]acetamide is sourced from PubChem (CID 34335845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).