2-[4-(2-methoxyphenyl)-2-propan-2-yloxan-4-yl]-N-(1,3-thiazol-2-yl)acetamide

C20H26N2O3S — CID 2965349

IUPAC2-[4-(2-methoxyphenyl)-2-propan-2-yloxan-4-yl]-N-(1,3-thiazol-2-yl)acetamide
SMILESCOc1ccccc1C1(CC(=O)Nc2nccs2)CCOC(C(C)C)C1
InChIInChI=1S/C20H26N2O3S/c1-14(2)17-12-20(8-10-25-17,15-6-4-5-7-16(15)24-3)13-18(23)22-19-21-9-11-26-19/h4-7,9,11,14,17H,8,10,12-13H2,1-3H3,(H,21,22,23)
InChIKeyWEAYXTHQDNTUMJ-UHFFFAOYSA-N
MW374.51 g/mol
LogP4.25
Rot. Bonds6

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

2-[4-(2-methoxyphenyl)-2-propan-2-yloxan-4-yl]-N-(1,3-thiazol-2-yl)acetamide (PubChem CID 2965349) has the molecular formula C20H26N2O3S and a molecular weight of 374.51 g/mol. Its IUPAC name is 2-[4-(2-methoxyphenyl)-2-propan-2-yloxan-4-yl]-N-(1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-[4-(2-methoxyphenyl)-2-propan-2-yloxan-4-yl]-N-(1,3-thiazol-2-yl)acetamide
PubChem CID2965349
Molecular FormulaC20H26N2O3S
Molecular Weight374.51 g/mol
Exact Mass374.17
IUPAC Name2-[4-(2-methoxyphenyl)-2-propan-2-yloxan-4-yl]-N-(1,3-thiazol-2-yl)acetamide
SMILESCOc1ccccc1C1(CC(=O)Nc2nccs2)CCOC(C(C)C)C1
InChIInChI=1S/C20H26N2O3S/c1-14(2)17-12-20(8-10-25-17,15-6-4-5-7-16(15)24-3)13-18(23)22-19-21-9-11-26-19/h4-7,9,11,14,17H,8,10,12-13H2,1-3H3,(H,21,22,23)
InChIKeyWEAYXTHQDNTUMJ-UHFFFAOYSA-N
XLogP4.25
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.51
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-methoxyphenyl)-2-propan-2-yloxan-4-yl]-N-(1,3-thiazol-2-yl)acetamide?
The IUPAC name of 2-[4-(2-methoxyphenyl)-2-propan-2-yloxan-4-yl]-N-(1,3-thiazol-2-yl)acetamide (CID 2965349) is 2-[4-(2-methoxyphenyl)-2-propan-2-yloxan-4-yl]-N-(1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for 2-[4-(2-methoxyphenyl)-2-propan-2-yloxan-4-yl]-N-(1,3-thiazol-2-yl)acetamide?
The canonical SMILES for 2-[4-(2-methoxyphenyl)-2-propan-2-yloxan-4-yl]-N-(1,3-thiazol-2-yl)acetamide is COc1ccccc1C1(CC(=O)Nc2nccs2)CCOC(C(C)C)C1.
What is the InChIKey of 2-[4-(2-methoxyphenyl)-2-propan-2-yloxan-4-yl]-N-(1,3-thiazol-2-yl)acetamide?
The InChIKey is WEAYXTHQDNTUMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O3S/c1-14(2)17-12-20(8-10-25-17,15-6-4-5-7-16(15)24-3)13-18(23)22-19-21-9-11-26-19/h4-7,9,11,14,17H,8,10,12-13H2,1-3H3,(H,21,22,23).
What are the key properties of 2-[4-(2-methoxyphenyl)-2-propan-2-yloxan-4-yl]-N-(1,3-thiazol-2-yl)acetamide?
2-[4-(2-methoxyphenyl)-2-propan-2-yloxan-4-yl]-N-(1,3-thiazol-2-yl)acetamide has a molecular weight of 374.51 g/mol, XLogP of 4.25, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-methoxyphenyl)-2-propan-2-yloxan-4-yl]-N-(1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 2965349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).