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

C14H16N2OS — CID 70330114

IUPACN-[[4-[(2-methylphenyl)methyl]-1,3-thiazol-2-yl]methyl]acetamide
SMILESCC(=O)NCc1nc(Cc2ccccc2C)cs1
InChIInChI=1S/C14H16N2OS/c1-10-5-3-4-6-12(10)7-13-9-18-14(16-13)8-15-11(2)17/h3-6,9H,7-8H2,1-2H3,(H,15,17)
InChIKeyPQKZYEXNKRVIND-UHFFFAOYSA-N
MW260.36 g/mol
LogP2.68
Rot. Bonds4

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

N-[[4-[(2-methylphenyl)methyl]-1,3-thiazol-2-yl]methyl]acetamide (PubChem CID 70330114) has the molecular formula C14H16N2OS and a molecular weight of 260.36 g/mol. Its IUPAC name is N-[[4-[(2-methylphenyl)methyl]-1,3-thiazol-2-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[[4-[(2-methylphenyl)methyl]-1,3-thiazol-2-yl]methyl]acetamide
PubChem CID70330114
Molecular FormulaC14H16N2OS
Molecular Weight260.36 g/mol
Exact Mass260.10
IUPAC NameN-[[4-[(2-methylphenyl)methyl]-1,3-thiazol-2-yl]methyl]acetamide
SMILESCC(=O)NCc1nc(Cc2ccccc2C)cs1
InChIInChI=1S/C14H16N2OS/c1-10-5-3-4-6-12(10)7-13-9-18-14(16-13)8-15-11(2)17/h3-6,9H,7-8H2,1-2H3,(H,15,17)
InChIKeyPQKZYEXNKRVIND-UHFFFAOYSA-N
XLogP2.68
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.36
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[2-(acetamidomethyl)-1,3-thiazol-4-yl]methyl]-2-chloro-2-fluoroacetamide
CID 167885837
N-[2-(4-benzyl-1,3-thiazol-2-yl)ethyl]acetamide
CID 75520278
4-(methoxymethyl)-2-[(2-methylphenyl)methyl]-1,3-thiazole
CID 107511968
N-[(2-methylphenyl)methyl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 31251684
N-[(2-amino-1,3-thiazol-4-yl)methyl]-2-(2-methylphenyl)acetamide
CID 110718046
2-(2-fluorophenyl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]acetamide
CID 51291453
2-[[(2-methylphenyl)carbamoylamino]methyl]-1,3-thiazole-4-carboxylic acid
CID 66381121
N-[(2-benzyl-1,3-thiazol-4-yl)methyl]-2-methylbenzamide
CID 108737632
3-[(2S)-1-[(2R,3R)-2,3-dihydroxy-4-[[4-[(2-methylphenyl)methyl]-1,3-thiazol-2-yl]methylamino]-4-oxobutanoyl]pyrrolidin-2-yl]-N-[2-(methylamino)ethyl]cyclohexane-1-carboxamide
CID 143154272
N-[(4-ethyl-1,3-thiazol-2-yl)methyl]-4-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]butanamide
CID 131911467
ethyl 2-[2-(benzamidomethyl)-1,3-thiazol-4-yl]acetate
CID 7140220
(2R,3R)-2,3-dihydroxy-N-[[4-[(2-hydroxyphenyl)methyl]-1,3-thiazol-2-yl]methyl]-N'-methyl-N'-[(1R)-1-naphthalen-1-ylethyl]butanediamide
CID 70329126

Frequently Asked Questions

What is the IUPAC name of N-[[4-[(2-methylphenyl)methyl]-1,3-thiazol-2-yl]methyl]acetamide?
The IUPAC name of N-[[4-[(2-methylphenyl)methyl]-1,3-thiazol-2-yl]methyl]acetamide (CID 70330114) is N-[[4-[(2-methylphenyl)methyl]-1,3-thiazol-2-yl]methyl]acetamide.
What is the SMILES notation for N-[[4-[(2-methylphenyl)methyl]-1,3-thiazol-2-yl]methyl]acetamide?
The canonical SMILES for N-[[4-[(2-methylphenyl)methyl]-1,3-thiazol-2-yl]methyl]acetamide is CC(=O)NCc1nc(Cc2ccccc2C)cs1.
What is the InChIKey of N-[[4-[(2-methylphenyl)methyl]-1,3-thiazol-2-yl]methyl]acetamide?
The InChIKey is PQKZYEXNKRVIND-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2OS/c1-10-5-3-4-6-12(10)7-13-9-18-14(16-13)8-15-11(2)17/h3-6,9H,7-8H2,1-2H3,(H,15,17).
What are the key properties of N-[[4-[(2-methylphenyl)methyl]-1,3-thiazol-2-yl]methyl]acetamide?
N-[[4-[(2-methylphenyl)methyl]-1,3-thiazol-2-yl]methyl]acetamide has a molecular weight of 260.36 g/mol, XLogP of 2.68, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[(2-methylphenyl)methyl]-1,3-thiazol-2-yl]methyl]acetamide is sourced from PubChem (CID 70330114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).