N-(4-tert-butyl-1,3-thiazol-2-yl)-2-(4-methoxyphenyl)acetamide

C16H20N2O2S — CID 2168034

IUPACN-(4-tert-butyl-1,3-thiazol-2-yl)-2-(4-methoxyphenyl)acetamide
SMILESCOc1ccc(CC(=O)Nc2nc(C(C)(C)C)cs2)cc1
InChIInChI=1S/C16H20N2O2S/c1-16(2,3)13-10-21-15(17-13)18-14(19)9-11-5-7-12(20-4)8-6-11/h5-8,10H,9H2,1-4H3,(H,17,18,19)
InChIKeyVLCJDZBTEOQHJP-UHFFFAOYSA-N
MW304.42 g/mol
LogP3.63
Rot. Bonds4

About N-(4-tert-butyl-1,3-thiazol-2-yl)-2-(4-methoxyphenyl)acetamide

N-(4-tert-butyl-1,3-thiazol-2-yl)-2-(4-methoxyphenyl)acetamide (PubChem CID 2168034) has the molecular formula C16H20N2O2S and a molecular weight of 304.42 g/mol. Its IUPAC name is N-(4-tert-butyl-1,3-thiazol-2-yl)-2-(4-methoxyphenyl)acetamide.

Molecular Properties

Compound NameN-(4-tert-butyl-1,3-thiazol-2-yl)-2-(4-methoxyphenyl)acetamide
PubChem CID2168034
Molecular FormulaC16H20N2O2S
Molecular Weight304.42 g/mol
Exact Mass304.12
IUPAC NameN-(4-tert-butyl-1,3-thiazol-2-yl)-2-(4-methoxyphenyl)acetamide
SMILESCOc1ccc(CC(=O)Nc2nc(C(C)(C)C)cs2)cc1
InChIInChI=1S/C16H20N2O2S/c1-16(2,3)13-10-21-15(17-13)18-14(19)9-11-5-7-12(20-4)8-6-11/h5-8,10H,9H2,1-4H3,(H,17,18,19)
InChIKeyVLCJDZBTEOQHJP-UHFFFAOYSA-N
XLogP3.63
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.42
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-tert-butyl-1,3-thiazol-2-yl)-2-(4-methoxyphenyl)acetamide?
The IUPAC name of N-(4-tert-butyl-1,3-thiazol-2-yl)-2-(4-methoxyphenyl)acetamide (CID 2168034) is N-(4-tert-butyl-1,3-thiazol-2-yl)-2-(4-methoxyphenyl)acetamide.
What is the SMILES notation for N-(4-tert-butyl-1,3-thiazol-2-yl)-2-(4-methoxyphenyl)acetamide?
The canonical SMILES for N-(4-tert-butyl-1,3-thiazol-2-yl)-2-(4-methoxyphenyl)acetamide is COc1ccc(CC(=O)Nc2nc(C(C)(C)C)cs2)cc1.
What is the InChIKey of N-(4-tert-butyl-1,3-thiazol-2-yl)-2-(4-methoxyphenyl)acetamide?
The InChIKey is VLCJDZBTEOQHJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2S/c1-16(2,3)13-10-21-15(17-13)18-14(19)9-11-5-7-12(20-4)8-6-11/h5-8,10H,9H2,1-4H3,(H,17,18,19).
What are the key properties of N-(4-tert-butyl-1,3-thiazol-2-yl)-2-(4-methoxyphenyl)acetamide?
N-(4-tert-butyl-1,3-thiazol-2-yl)-2-(4-methoxyphenyl)acetamide has a molecular weight of 304.42 g/mol, XLogP of 3.63, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-tert-butyl-1,3-thiazol-2-yl)-2-(4-methoxyphenyl)acetamide is sourced from PubChem (CID 2168034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).