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

C21H22N2O3S — CID 110329472

IUPACN-[(4-methoxyphenyl)methyl]-2-[2-(3-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]acetamide
SMILESCOc1ccc(CNC(=O)Cc2sc(-c3cccc(OC)c3)nc2C)cc1
InChIInChI=1S/C21H22N2O3S/c1-14-19(27-21(23-14)16-5-4-6-18(11-16)26-3)12-20(24)22-13-15-7-9-17(25-2)10-8-15/h4-11H,12-13H2,1-3H3,(H,22,24)
InChIKeyDWRQVTFSQOTPRW-UHFFFAOYSA-N
MW382.49 g/mol
LogP3.99
Rot. Bonds7

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

N-[(4-methoxyphenyl)methyl]-2-[2-(3-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]acetamide (PubChem CID 110329472) has the molecular formula C21H22N2O3S and a molecular weight of 382.49 g/mol. Its IUPAC name is N-[(4-methoxyphenyl)methyl]-2-[2-(3-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]acetamide.

Molecular Properties

Compound NameN-[(4-methoxyphenyl)methyl]-2-[2-(3-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]acetamide
PubChem CID110329472
Molecular FormulaC21H22N2O3S
Molecular Weight382.49 g/mol
Exact Mass382.14
IUPAC NameN-[(4-methoxyphenyl)methyl]-2-[2-(3-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]acetamide
SMILESCOc1ccc(CNC(=O)Cc2sc(-c3cccc(OC)c3)nc2C)cc1
InChIInChI=1S/C21H22N2O3S/c1-14-19(27-21(23-14)16-5-4-6-18(11-16)26-3)12-20(24)22-13-15-7-9-17(25-2)10-8-15/h4-11H,12-13H2,1-3H3,(H,22,24)
InChIKeyDWRQVTFSQOTPRW-UHFFFAOYSA-N
XLogP3.99
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.49
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(4-methoxyphenyl)methyl]-2-(4-methyl-2-pyridin-4-yl-1,3-thiazol-5-yl)acetamide
CID 110329175
1-[2-(3-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]propan-2-one
CID 82302253
2-[2-(3-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]-N-(oxolan-2-ylmethyl)acetamide
CID 110329457
N-[4-(dimethylamino)phenyl]-2-[2-(3-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]acetamide
CID 110329505
N-(3-acetamidophenyl)-2-[2-(4-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]acetamide
CID 110329572
2-(4-methoxyphenyl)-N-[2-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)ethyl]acetamide
CID 110395233
N-(1,3-benzodioxol-5-ylmethyl)-2-[4-methyl-2-(3-methylphenyl)-1,3-thiazol-5-yl]acetamide
CID 110329647
1-[(4-methoxyphenyl)methyl]-2-methyl-3-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methyl]guanidine
CID 111182365
N-(3-cyanophenyl)-2-[2-(4-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]acetamide
CID 110329578
2-(4-fluorophenyl)-N-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methyl]acetamide
CID 90546282
N-[2-[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]-2-(4-methoxyphenyl)acetamide
CID 7517999
2-(4-methyl-2-phenyl-1,3-thiazol-5-yl)-N-(3,4,5-trimethoxyphenyl)acetamide
CID 110328896

Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxyphenyl)methyl]-2-[2-(3-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]acetamide?
The IUPAC name of N-[(4-methoxyphenyl)methyl]-2-[2-(3-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]acetamide (CID 110329472) is N-[(4-methoxyphenyl)methyl]-2-[2-(3-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]acetamide.
What is the SMILES notation for N-[(4-methoxyphenyl)methyl]-2-[2-(3-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]acetamide?
The canonical SMILES for N-[(4-methoxyphenyl)methyl]-2-[2-(3-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]acetamide is COc1ccc(CNC(=O)Cc2sc(-c3cccc(OC)c3)nc2C)cc1.
What is the InChIKey of N-[(4-methoxyphenyl)methyl]-2-[2-(3-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]acetamide?
The InChIKey is DWRQVTFSQOTPRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O3S/c1-14-19(27-21(23-14)16-5-4-6-18(11-16)26-3)12-20(24)22-13-15-7-9-17(25-2)10-8-15/h4-11H,12-13H2,1-3H3,(H,22,24).
What are the key properties of N-[(4-methoxyphenyl)methyl]-2-[2-(3-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]acetamide?
N-[(4-methoxyphenyl)methyl]-2-[2-(3-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]acetamide has a molecular weight of 382.49 g/mol, XLogP of 3.99, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methoxyphenyl)methyl]-2-[2-(3-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]acetamide is sourced from PubChem (CID 110329472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).