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

C20H20N2O3S — CID 10044540

IUPACN-[[4,5-bis(4-methoxyphenyl)-1,3-thiazol-2-yl]methyl]acetamide
SMILESCOc1ccc(-c2nc(CNC(C)=O)sc2-c2ccc(OC)cc2)cc1
InChIInChI=1S/C20H20N2O3S/c1-13(23)21-12-18-22-19(14-4-8-16(24-2)9-5-14)20(26-18)15-6-10-17(25-3)11-7-15/h4-11H,12H2,1-3H3,(H,21,23)
InChIKeyBHZYOKCFUBCZPW-UHFFFAOYSA-N
MW368.46 g/mol
LogP4.13
Rot. Bonds6

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

N-[[4,5-bis(4-methoxyphenyl)-1,3-thiazol-2-yl]methyl]acetamide (PubChem CID 10044540) has the molecular formula C20H20N2O3S and a molecular weight of 368.46 g/mol. Its IUPAC name is N-[[4,5-bis(4-methoxyphenyl)-1,3-thiazol-2-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[[4,5-bis(4-methoxyphenyl)-1,3-thiazol-2-yl]methyl]acetamide
PubChem CID10044540
Molecular FormulaC20H20N2O3S
Molecular Weight368.46 g/mol
Exact Mass368.12
IUPAC NameN-[[4,5-bis(4-methoxyphenyl)-1,3-thiazol-2-yl]methyl]acetamide
SMILESCOc1ccc(-c2nc(CNC(C)=O)sc2-c2ccc(OC)cc2)cc1
InChIInChI=1S/C20H20N2O3S/c1-13(23)21-12-18-22-19(14-4-8-16(24-2)9-5-14)20(26-18)15-6-10-17(25-3)11-7-15/h4-11H,12H2,1-3H3,(H,21,23)
InChIKeyBHZYOKCFUBCZPW-UHFFFAOYSA-N
XLogP4.13
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.46
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Itazigrel
CID 51087
FR-122047
CID 196841
1-((4,5-Bis(4-methoxyphenyl)-2-thiazoyl)carbonyl)-4-methylpiperazine
CID 196840
1-[4,5-Bis(4-methoxyphenyl)-1,3-thiazol-2-yl]-4-methylpiperazine
CID 4788158
2-Aminomethyl-4,5-bis(4-methoxyphenyl)thiazole
CID 9973662
4,5-bis(4-methoxyphenyl)-N-(2-morpholin-4-ylethyl)-1,3-thiazole-2-carboxamide
CID 9981363
1-[4,5-bis(4-methoxyphenyl)-1,3-thiazol-2-yl]-N,N-dimethylmethanamine
CID 9998279
1-[4,5-Bis(4-methoxyphenyl)-1,3-thiazol-2-yl]-2-methylguanidine
CID 9999107
4,5-bis(4-methoxyphenyl)-2-(N,N-dimethylcarbamoyl)thiazole
CID 10021953
1-[[4,5-Bis(4-methoxyphenyl)-1,3-thiazol-2-yl]methyl]-3-methylurea
CID 10022853
ethyl (E)-3-[4,5-bis(4-methoxyphenyl)-1,3-thiazol-2-yl]prop-2-enoate
CID 10046226
N-[[4,5-bis(4-methoxyphenyl)-1,3-thiazol-2-yl]methyl]-2-phenylsulfanylacetamide
CID 10050685

Frequently Asked Questions

What is the IUPAC name of N-[[4,5-bis(4-methoxyphenyl)-1,3-thiazol-2-yl]methyl]acetamide?
The IUPAC name of N-[[4,5-bis(4-methoxyphenyl)-1,3-thiazol-2-yl]methyl]acetamide (CID 10044540) is N-[[4,5-bis(4-methoxyphenyl)-1,3-thiazol-2-yl]methyl]acetamide.
What is the SMILES notation for N-[[4,5-bis(4-methoxyphenyl)-1,3-thiazol-2-yl]methyl]acetamide?
The canonical SMILES for N-[[4,5-bis(4-methoxyphenyl)-1,3-thiazol-2-yl]methyl]acetamide is COc1ccc(-c2nc(CNC(C)=O)sc2-c2ccc(OC)cc2)cc1.
What is the InChIKey of N-[[4,5-bis(4-methoxyphenyl)-1,3-thiazol-2-yl]methyl]acetamide?
The InChIKey is BHZYOKCFUBCZPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O3S/c1-13(23)21-12-18-22-19(14-4-8-16(24-2)9-5-14)20(26-18)15-6-10-17(25-3)11-7-15/h4-11H,12H2,1-3H3,(H,21,23).
What are the key properties of N-[[4,5-bis(4-methoxyphenyl)-1,3-thiazol-2-yl]methyl]acetamide?
N-[[4,5-bis(4-methoxyphenyl)-1,3-thiazol-2-yl]methyl]acetamide has a molecular weight of 368.46 g/mol, XLogP of 4.13, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4,5-bis(4-methoxyphenyl)-1,3-thiazol-2-yl]methyl]acetamide is sourced from PubChem (CID 10044540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).