N-[2-(2-amino-1,3-thiazol-4-yl)ethyl]-2-[(4-methyl-1H-benzimidazol-2-yl)methoxy]acetamide

C16H19N5O2S — CID 91766278

IUPACN-[2-(2-amino-1,3-thiazol-4-yl)ethyl]-2-[(4-methyl-1H-benzimidazol-2-yl)methoxy]acetamide
SMILESCc1cccc2[nH]c(COCC(=O)NCCc3csc(N)n3)nc12
InChIInChI=1S/C16H19N5O2S/c1-10-3-2-4-12-15(10)21-13(20-12)7-23-8-14(22)18-6-5-11-9-24-16(17)19-11/h2-4,9H,5-8H2,1H3,(H2,17,19)(H,18,22)(H,20,21)
InChIKeyPGHSIZCHUZZQEJ-UHFFFAOYSA-N
MW345.43 g/mol
LogP1.79
Rot. Bonds7

About N-[2-(2-amino-1,3-thiazol-4-yl)ethyl]-2-[(4-methyl-1H-benzimidazol-2-yl)methoxy]acetamide

N-[2-(2-amino-1,3-thiazol-4-yl)ethyl]-2-[(4-methyl-1H-benzimidazol-2-yl)methoxy]acetamide (PubChem CID 91766278) has the molecular formula C16H19N5O2S and a molecular weight of 345.43 g/mol. Its IUPAC name is N-[2-(2-amino-1,3-thiazol-4-yl)ethyl]-2-[(4-methyl-1H-benzimidazol-2-yl)methoxy]acetamide.

Molecular Properties

Compound NameN-[2-(2-amino-1,3-thiazol-4-yl)ethyl]-2-[(4-methyl-1H-benzimidazol-2-yl)methoxy]acetamide
PubChem CID91766278
Molecular FormulaC16H19N5O2S
Molecular Weight345.43 g/mol
Exact Mass345.13
IUPAC NameN-[2-(2-amino-1,3-thiazol-4-yl)ethyl]-2-[(4-methyl-1H-benzimidazol-2-yl)methoxy]acetamide
SMILESCc1cccc2[nH]c(COCC(=O)NCCc3csc(N)n3)nc12
InChIInChI=1S/C16H19N5O2S/c1-10-3-2-4-12-15(10)21-13(20-12)7-23-8-14(22)18-6-5-11-9-24-16(17)19-11/h2-4,9H,5-8H2,1H3,(H2,17,19)(H,18,22)(H,20,21)
InChIKeyPGHSIZCHUZZQEJ-UHFFFAOYSA-N
XLogP1.79
TPSA105.92 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.43
LogP ≤ 51.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)ethyl]-2-[(4-methyl-1H-benzimidazol-2-yl)methoxy]acetamide
CID 131904469
N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-2-[(4-methyl-1H-benzimidazol-2-yl)methoxy]acetamide
CID 91793250
N-[2-(4-aminophenyl)ethyl]-3-(4-methyl-1H-benzimidazol-2-yl)propanamide;dihydrochloride
CID 119548614
N-[2-(2-amino-1,3-thiazol-4-yl)ethyl]-2-(3-methylphenyl)acetamide
CID 110717883
2-(2-amino-1,3-thiazol-4-yl)-N-[2-(2-methylphenyl)ethyl]acetamide
CID 79749621
N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-2-[(4-methyl-1H-benzimidazol-2-yl)methoxy]acetamide
CID 99992998
N-[(1S)-1-(cyclohexen-1-yl)ethyl]-2-[(4-methyl-1H-benzimidazol-2-yl)methoxy]acetamide
CID 164639781
2-(2-amino-1,3-thiazol-4-yl)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]acetamide
CID 106047488
N-(3-aminobutyl)-3-(4-methyl-1H-benzimidazol-2-yl)propanamide
CID 119497235
N-[2-(2-amino-1,3-thiazol-4-yl)ethyl]-3-methylbenzamide
CID 110717816
2-(4-hydroxypiperidin-1-yl)-N-[2-(4-methyl-1H-benzimidazol-2-yl)ethyl]acetamide
CID 118796145
1-[2-(2-amino-1,3-thiazol-4-yl)ethyl]-3-propylurea
CID 110747798

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-amino-1,3-thiazol-4-yl)ethyl]-2-[(4-methyl-1H-benzimidazol-2-yl)methoxy]acetamide?
The IUPAC name of N-[2-(2-amino-1,3-thiazol-4-yl)ethyl]-2-[(4-methyl-1H-benzimidazol-2-yl)methoxy]acetamide (CID 91766278) is N-[2-(2-amino-1,3-thiazol-4-yl)ethyl]-2-[(4-methyl-1H-benzimidazol-2-yl)methoxy]acetamide.
What is the SMILES notation for N-[2-(2-amino-1,3-thiazol-4-yl)ethyl]-2-[(4-methyl-1H-benzimidazol-2-yl)methoxy]acetamide?
The canonical SMILES for N-[2-(2-amino-1,3-thiazol-4-yl)ethyl]-2-[(4-methyl-1H-benzimidazol-2-yl)methoxy]acetamide is Cc1cccc2[nH]c(COCC(=O)NCCc3csc(N)n3)nc12.
What is the InChIKey of N-[2-(2-amino-1,3-thiazol-4-yl)ethyl]-2-[(4-methyl-1H-benzimidazol-2-yl)methoxy]acetamide?
The InChIKey is PGHSIZCHUZZQEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5O2S/c1-10-3-2-4-12-15(10)21-13(20-12)7-23-8-14(22)18-6-5-11-9-24-16(17)19-11/h2-4,9H,5-8H2,1H3,(H2,17,19)(H,18,22)(H,20,21).
What are the key properties of N-[2-(2-amino-1,3-thiazol-4-yl)ethyl]-2-[(4-methyl-1H-benzimidazol-2-yl)methoxy]acetamide?
N-[2-(2-amino-1,3-thiazol-4-yl)ethyl]-2-[(4-methyl-1H-benzimidazol-2-yl)methoxy]acetamide has a molecular weight of 345.43 g/mol, XLogP of 1.79, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-amino-1,3-thiazol-4-yl)ethyl]-2-[(4-methyl-1H-benzimidazol-2-yl)methoxy]acetamide is sourced from PubChem (CID 91766278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).