N-[4-(4-tert-butylphenyl)-1,3-thiazol-2-yl]-2-methoxyacetamide

C16H20N2O2S — CID 51185945

IUPACN-[4-(4-tert-butylphenyl)-1,3-thiazol-2-yl]-2-methoxyacetamide
SMILESCOCC(=O)Nc1nc(-c2ccc(C(C)(C)C)cc2)cs1
InChIInChI=1S/C16H20N2O2S/c1-16(2,3)12-7-5-11(6-8-12)13-10-21-15(17-13)18-14(19)9-20-4/h5-8,10H,9H2,1-4H3,(H,17,18,19)
InChIKeyWRQXJSHHMOMIKJ-UHFFFAOYSA-N
MW304.42 g/mol
LogP3.69
Rot. Bonds4

About N-[4-(4-tert-butylphenyl)-1,3-thiazol-2-yl]-2-methoxyacetamide

N-[4-(4-tert-butylphenyl)-1,3-thiazol-2-yl]-2-methoxyacetamide (PubChem CID 51185945) has the molecular formula C16H20N2O2S and a molecular weight of 304.42 g/mol. Its IUPAC name is N-[4-(4-tert-butylphenyl)-1,3-thiazol-2-yl]-2-methoxyacetamide.

Molecular Properties

Compound NameN-[4-(4-tert-butylphenyl)-1,3-thiazol-2-yl]-2-methoxyacetamide
PubChem CID51185945
Molecular FormulaC16H20N2O2S
Molecular Weight304.42 g/mol
Exact Mass304.12
IUPAC NameN-[4-(4-tert-butylphenyl)-1,3-thiazol-2-yl]-2-methoxyacetamide
SMILESCOCC(=O)Nc1nc(-c2ccc(C(C)(C)C)cc2)cs1
InChIInChI=1S/C16H20N2O2S/c1-16(2,3)12-7-5-11(6-8-12)13-10-21-15(17-13)18-14(19)9-20-4/h5-8,10H,9H2,1-4H3,(H,17,18,19)
InChIKeyWRQXJSHHMOMIKJ-UHFFFAOYSA-N
XLogP3.69
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 ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N,N'-bis[4-(4-tert-butylphenyl)-1,3-thiazol-2-yl]hexanediamide
CID 3376652
N-[4-(4-tert-butylphenyl)-1,3-thiazol-2-yl]-3-methylbutanamide
CID 4232837
2-(4-tert-butylphenoxy)-N-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]acetamide
CID 19178615
N-[4-(4-tert-butylphenyl)-1,3-thiazol-2-yl]-2-(2-methoxyethoxy)propanamide
CID 86949975
N-[3-[[4-(4-tert-butylphenyl)-1,3-thiazol-2-yl]amino]-3-oxopropyl]-2,2-dimethylpropanamide
CID 24630647
[2-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] 2-[(4-tert-butylbenzoyl)amino]acetate
CID 2449815
N-[4-(4-tert-butylphenyl)-1,3-thiazol-2-yl]-2-(4-nitrophenoxy)acetamide
CID 18227067
2-N,5-N-bis[4-(4-tert-butylphenyl)-1,3-thiazol-2-yl]thiophene-2,5-dicarboxamide
CID 4295617
N-[4-(4-aminophenyl)-1,3-thiazol-2-yl]-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 115949174
4-tert-butyl-N-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]benzamide
CID 19173152
2-methoxy-N-[4-(5-methylthiophen-2-yl)-1,3-thiazol-2-yl]acetamide
CID 51328878
2-(4-tert-butylphenoxy)-N-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-yl]acetamide
CID 19227816

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-tert-butylphenyl)-1,3-thiazol-2-yl]-2-methoxyacetamide?
The IUPAC name of N-[4-(4-tert-butylphenyl)-1,3-thiazol-2-yl]-2-methoxyacetamide (CID 51185945) is N-[4-(4-tert-butylphenyl)-1,3-thiazol-2-yl]-2-methoxyacetamide.
What is the SMILES notation for N-[4-(4-tert-butylphenyl)-1,3-thiazol-2-yl]-2-methoxyacetamide?
The canonical SMILES for N-[4-(4-tert-butylphenyl)-1,3-thiazol-2-yl]-2-methoxyacetamide is COCC(=O)Nc1nc(-c2ccc(C(C)(C)C)cc2)cs1.
What is the InChIKey of N-[4-(4-tert-butylphenyl)-1,3-thiazol-2-yl]-2-methoxyacetamide?
The InChIKey is WRQXJSHHMOMIKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2S/c1-16(2,3)12-7-5-11(6-8-12)13-10-21-15(17-13)18-14(19)9-20-4/h5-8,10H,9H2,1-4H3,(H,17,18,19).
What are the key properties of N-[4-(4-tert-butylphenyl)-1,3-thiazol-2-yl]-2-methoxyacetamide?
N-[4-(4-tert-butylphenyl)-1,3-thiazol-2-yl]-2-methoxyacetamide has a molecular weight of 304.42 g/mol, XLogP of 3.69, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-tert-butylphenyl)-1,3-thiazol-2-yl]-2-methoxyacetamide is sourced from PubChem (CID 51185945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).