N-[[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]-phenylmethyl]acetamide

C20H20N2OS — CID 46944021

IUPACN-[[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]-phenylmethyl]acetamide
SMILESCC(=O)NC(c1ccccc1)c1nc(-c2ccc(C)c(C)c2)cs1
InChIInChI=1S/C20H20N2OS/c1-13-9-10-17(11-14(13)2)18-12-24-20(22-18)19(21-15(3)23)16-7-5-4-6-8-16/h4-12,19H,1-3H3,(H,21,23)
InChIKeyIAERFYORKCERTQ-UHFFFAOYSA-N
MW336.46 g/mol
LogP4.65
Rot. Bonds4

About N-[[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]-phenylmethyl]acetamide

N-[[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]-phenylmethyl]acetamide (PubChem CID 46944021) has the molecular formula C20H20N2OS and a molecular weight of 336.46 g/mol. Its IUPAC name is N-[[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]-phenylmethyl]acetamide.

Molecular Properties

Compound NameN-[[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]-phenylmethyl]acetamide
PubChem CID46944021
Molecular FormulaC20H20N2OS
Molecular Weight336.46 g/mol
Exact Mass336.13
IUPAC NameN-[[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]-phenylmethyl]acetamide
SMILESCC(=O)NC(c1ccccc1)c1nc(-c2ccc(C)c(C)c2)cs1
InChIInChI=1S/C20H20N2OS/c1-13-9-10-17(11-14(13)2)18-12-24-20(22-18)19(21-15(3)23)16-7-5-4-6-8-16/h4-12,19H,1-3H3,(H,21,23)
InChIKeyIAERFYORKCERTQ-UHFFFAOYSA-N
XLogP4.65
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.46
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]-phenylmethyl]acetamide?
The IUPAC name of N-[[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]-phenylmethyl]acetamide (CID 46944021) is N-[[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]-phenylmethyl]acetamide.
What is the SMILES notation for N-[[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]-phenylmethyl]acetamide?
The canonical SMILES for N-[[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]-phenylmethyl]acetamide is CC(=O)NC(c1ccccc1)c1nc(-c2ccc(C)c(C)c2)cs1.
What is the InChIKey of N-[[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]-phenylmethyl]acetamide?
The InChIKey is IAERFYORKCERTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2OS/c1-13-9-10-17(11-14(13)2)18-12-24-20(22-18)19(21-15(3)23)16-7-5-4-6-8-16/h4-12,19H,1-3H3,(H,21,23).
What are the key properties of N-[[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]-phenylmethyl]acetamide?
N-[[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]-phenylmethyl]acetamide has a molecular weight of 336.46 g/mol, XLogP of 4.65, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]-phenylmethyl]acetamide is sourced from PubChem (CID 46944021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).