N-[4-(4-ethoxyphenyl)-5-methyl-1,3-thiazol-2-yl]cyclobutanecarboxamide

C17H20N2O2S — CID 2677955

IUPACN-[4-(4-ethoxyphenyl)-5-methyl-1,3-thiazol-2-yl]cyclobutanecarboxamide
SMILESCCOc1ccc(-c2nc(NC(=O)C3CCC3)sc2C)cc1
InChIInChI=1S/C17H20N2O2S/c1-3-21-14-9-7-12(8-10-14)15-11(2)22-17(18-15)19-16(20)13-5-4-6-13/h7-10,13H,3-6H2,1-2H3,(H,18,19,20)
InChIKeyZQKOPSQXHYYZPW-UHFFFAOYSA-N
MW316.43 g/mol
LogP4.26
Rot. Bonds5

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

N-[4-(4-ethoxyphenyl)-5-methyl-1,3-thiazol-2-yl]cyclobutanecarboxamide (PubChem CID 2677955) has the molecular formula C17H20N2O2S and a molecular weight of 316.43 g/mol. Its IUPAC name is N-[4-(4-ethoxyphenyl)-5-methyl-1,3-thiazol-2-yl]cyclobutanecarboxamide.

Molecular Properties

Compound NameN-[4-(4-ethoxyphenyl)-5-methyl-1,3-thiazol-2-yl]cyclobutanecarboxamide
PubChem CID2677955
Molecular FormulaC17H20N2O2S
Molecular Weight316.43 g/mol
Exact Mass316.12
IUPAC NameN-[4-(4-ethoxyphenyl)-5-methyl-1,3-thiazol-2-yl]cyclobutanecarboxamide
SMILESCCOc1ccc(-c2nc(NC(=O)C3CCC3)sc2C)cc1
InChIInChI=1S/C17H20N2O2S/c1-3-21-14-9-7-12(8-10-14)15-11(2)22-17(18-15)19-16(20)13-5-4-6-13/h7-10,13H,3-6H2,1-2H3,(H,18,19,20)
InChIKeyZQKOPSQXHYYZPW-UHFFFAOYSA-N
XLogP4.26
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.43
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,2,2-trifluoroethyl 4-[[4-(4-ethoxyphenyl)-5-methyl-1,3-thiazol-2-yl]carbamoyl]piperidine-1-carboxylate
CID 16581765
2-amino-N-[4-(4-ethoxyphenyl)-5-methyl-1,3-thiazol-2-yl]acetamide
CID 39177185
N-[4-(4-ethoxyphenyl)-5-methyl-1,3-thiazol-2-yl]pentanamide
CID 3323337
N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-1-prop-2-ynylpiperidine-4-carboxamide
CID 60563304
N-[4-(4-ethoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-2,6-dimethoxybenzamide
CID 4557450
N-[4-(4-ethoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-3-formyl-2,2-dimethyl-1,3-thiazolidine-4-carboxamide
CID 19204742
N-[4-(4-ethoxyphenyl)-5-methyl-1,3-thiazol-2-yl]naphthalene-1-carboxamide
CID 4200975
N-[4-(4-ethoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-2-(4-propan-2-ylphenoxy)acetamide
CID 19227719
(1R)-N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]cyclohex-3-ene-1-carboxamide
CID 8780972
N-[4-(4-ethoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-2-(2-fluorophenyl)acetamide
CID 2102510
N-[4-(4-ethoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-2-(4-propan-2-ylphenyl)acetamide
CID 41362497
N-[4-(4-ethoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 7541045

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-ethoxyphenyl)-5-methyl-1,3-thiazol-2-yl]cyclobutanecarboxamide?
The IUPAC name of N-[4-(4-ethoxyphenyl)-5-methyl-1,3-thiazol-2-yl]cyclobutanecarboxamide (CID 2677955) is N-[4-(4-ethoxyphenyl)-5-methyl-1,3-thiazol-2-yl]cyclobutanecarboxamide.
What is the SMILES notation for N-[4-(4-ethoxyphenyl)-5-methyl-1,3-thiazol-2-yl]cyclobutanecarboxamide?
The canonical SMILES for N-[4-(4-ethoxyphenyl)-5-methyl-1,3-thiazol-2-yl]cyclobutanecarboxamide is CCOc1ccc(-c2nc(NC(=O)C3CCC3)sc2C)cc1.
What is the InChIKey of N-[4-(4-ethoxyphenyl)-5-methyl-1,3-thiazol-2-yl]cyclobutanecarboxamide?
The InChIKey is ZQKOPSQXHYYZPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O2S/c1-3-21-14-9-7-12(8-10-14)15-11(2)22-17(18-15)19-16(20)13-5-4-6-13/h7-10,13H,3-6H2,1-2H3,(H,18,19,20).
What are the key properties of N-[4-(4-ethoxyphenyl)-5-methyl-1,3-thiazol-2-yl]cyclobutanecarboxamide?
N-[4-(4-ethoxyphenyl)-5-methyl-1,3-thiazol-2-yl]cyclobutanecarboxamide has a molecular weight of 316.43 g/mol, XLogP of 4.26, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-ethoxyphenyl)-5-methyl-1,3-thiazol-2-yl]cyclobutanecarboxamide is sourced from PubChem (CID 2677955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).