N-[(4-acetamidophenyl)methyl]-2-[(2,4-dimethyl-1,3-thiazol-5-yl)methylamino]acetamide

C17H22N4O2S — CID 50968961

IUPACN-[(4-acetamidophenyl)methyl]-2-[(2,4-dimethyl-1,3-thiazol-5-yl)methylamino]acetamide
SMILESCC(=O)Nc1ccc(CNC(=O)CNCc2sc(C)nc2C)cc1
InChIInChI=1S/C17H22N4O2S/c1-11-16(24-13(3)20-11)9-18-10-17(23)19-8-14-4-6-15(7-5-14)21-12(2)22/h4-7,18H,8-10H2,1-3H3,(H,19,23)(H,21,22)
InChIKeyWBKBGKGEMIMPRL-UHFFFAOYSA-N
MW346.46 g/mol
LogP2.12
Rot. Bonds7

About N-[(4-acetamidophenyl)methyl]-2-[(2,4-dimethyl-1,3-thiazol-5-yl)methylamino]acetamide

N-[(4-acetamidophenyl)methyl]-2-[(2,4-dimethyl-1,3-thiazol-5-yl)methylamino]acetamide (PubChem CID 50968961) has the molecular formula C17H22N4O2S and a molecular weight of 346.46 g/mol. Its IUPAC name is N-[(4-acetamidophenyl)methyl]-2-[(2,4-dimethyl-1,3-thiazol-5-yl)methylamino]acetamide.

Molecular Properties

Compound NameN-[(4-acetamidophenyl)methyl]-2-[(2,4-dimethyl-1,3-thiazol-5-yl)methylamino]acetamide
PubChem CID50968961
Molecular FormulaC17H22N4O2S
Molecular Weight346.46 g/mol
Exact Mass346.15
IUPAC NameN-[(4-acetamidophenyl)methyl]-2-[(2,4-dimethyl-1,3-thiazol-5-yl)methylamino]acetamide
SMILESCC(=O)Nc1ccc(CNC(=O)CNCc2sc(C)nc2C)cc1
InChIInChI=1S/C17H22N4O2S/c1-11-16(24-13(3)20-11)9-18-10-17(23)19-8-14-4-6-15(7-5-14)21-12(2)22/h4-7,18H,8-10H2,1-3H3,(H,19,23)(H,21,22)
InChIKeyWBKBGKGEMIMPRL-UHFFFAOYSA-N
XLogP2.12
TPSA83.12 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.46
LogP ≤ 52.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(4-acetamidophenyl)methyl]-2-[(2,4-dimethyl-1,3-thiazol-5-yl)methylamino]acetamide?
The IUPAC name of N-[(4-acetamidophenyl)methyl]-2-[(2,4-dimethyl-1,3-thiazol-5-yl)methylamino]acetamide (CID 50968961) is N-[(4-acetamidophenyl)methyl]-2-[(2,4-dimethyl-1,3-thiazol-5-yl)methylamino]acetamide.
What is the SMILES notation for N-[(4-acetamidophenyl)methyl]-2-[(2,4-dimethyl-1,3-thiazol-5-yl)methylamino]acetamide?
The canonical SMILES for N-[(4-acetamidophenyl)methyl]-2-[(2,4-dimethyl-1,3-thiazol-5-yl)methylamino]acetamide is CC(=O)Nc1ccc(CNC(=O)CNCc2sc(C)nc2C)cc1.
What is the InChIKey of N-[(4-acetamidophenyl)methyl]-2-[(2,4-dimethyl-1,3-thiazol-5-yl)methylamino]acetamide?
The InChIKey is WBKBGKGEMIMPRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O2S/c1-11-16(24-13(3)20-11)9-18-10-17(23)19-8-14-4-6-15(7-5-14)21-12(2)22/h4-7,18H,8-10H2,1-3H3,(H,19,23)(H,21,22).
What are the key properties of N-[(4-acetamidophenyl)methyl]-2-[(2,4-dimethyl-1,3-thiazol-5-yl)methylamino]acetamide?
N-[(4-acetamidophenyl)methyl]-2-[(2,4-dimethyl-1,3-thiazol-5-yl)methylamino]acetamide has a molecular weight of 346.46 g/mol, XLogP of 2.12, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-acetamidophenyl)methyl]-2-[(2,4-dimethyl-1,3-thiazol-5-yl)methylamino]acetamide is sourced from PubChem (CID 50968961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).