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

C17H22N2O2S — CID 3323337

IUPACN-[4-(4-ethoxyphenyl)-5-methyl-1,3-thiazol-2-yl]pentanamide
SMILESCCCCC(=O)Nc1nc(-c2ccc(OCC)cc2)c(C)s1
InChIInChI=1S/C17H22N2O2S/c1-4-6-7-15(20)18-17-19-16(12(3)22-17)13-8-10-14(11-9-13)21-5-2/h8-11H,4-7H2,1-3H3,(H,18,19,20)
InChIKeyWIAAUBIYFCLRER-UHFFFAOYSA-N
MW318.44 g/mol
LogP4.65
Rot. Bonds7

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

N-[4-(4-ethoxyphenyl)-5-methyl-1,3-thiazol-2-yl]pentanamide (PubChem CID 3323337) has the molecular formula C17H22N2O2S and a molecular weight of 318.44 g/mol. Its IUPAC name is N-[4-(4-ethoxyphenyl)-5-methyl-1,3-thiazol-2-yl]pentanamide.

Molecular Properties

Compound NameN-[4-(4-ethoxyphenyl)-5-methyl-1,3-thiazol-2-yl]pentanamide
PubChem CID3323337
Molecular FormulaC17H22N2O2S
Molecular Weight318.44 g/mol
Exact Mass318.14
IUPAC NameN-[4-(4-ethoxyphenyl)-5-methyl-1,3-thiazol-2-yl]pentanamide
SMILESCCCCC(=O)Nc1nc(-c2ccc(OCC)cc2)c(C)s1
InChIInChI=1S/C17H22N2O2S/c1-4-6-7-15(20)18-17-19-16(12(3)22-17)13-8-10-14(11-9-13)21-5-2/h8-11H,4-7H2,1-3H3,(H,18,19,20)
InChIKeyWIAAUBIYFCLRER-UHFFFAOYSA-N
XLogP4.65
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.44
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]pentanamide
CID 19172938
2-amino-N-[4-(4-ethoxyphenyl)-5-methyl-1,3-thiazol-2-yl]acetamide
CID 39177185
N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]pentanamide
CID 19210425
N-[4-(4-ethoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-4-(4-fluorophenyl)sulfanylbutanamide
CID 41271730
4-(2-bromo-4-methylphenoxy)-N-[4-(4-ethoxyphenyl)-5-methyl-1,3-thiazol-2-yl]butanamide
CID 19228725
3-(4-methoxyphenoxy)-N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]propanamide
CID 2388192
N-[4-(4-bromophenyl)-5-methyl-1,3-thiazol-2-yl]-4-(4-methylphenoxy)butanamide
CID 19218771
N-[4-(4-ethoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-2-(4-propan-2-ylphenoxy)acetamide
CID 19227719
N-[4-(3,4-dimethoxyphenyl)-5-methyl-1,3-thiazol-2-yl]pentanamide
CID 48998332
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]pentanamide?
The IUPAC name of N-[4-(4-ethoxyphenyl)-5-methyl-1,3-thiazol-2-yl]pentanamide (CID 3323337) is N-[4-(4-ethoxyphenyl)-5-methyl-1,3-thiazol-2-yl]pentanamide.
What is the SMILES notation for N-[4-(4-ethoxyphenyl)-5-methyl-1,3-thiazol-2-yl]pentanamide?
The canonical SMILES for N-[4-(4-ethoxyphenyl)-5-methyl-1,3-thiazol-2-yl]pentanamide is CCCCC(=O)Nc1nc(-c2ccc(OCC)cc2)c(C)s1.
What is the InChIKey of N-[4-(4-ethoxyphenyl)-5-methyl-1,3-thiazol-2-yl]pentanamide?
The InChIKey is WIAAUBIYFCLRER-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O2S/c1-4-6-7-15(20)18-17-19-16(12(3)22-17)13-8-10-14(11-9-13)21-5-2/h8-11H,4-7H2,1-3H3,(H,18,19,20).
What are the key properties of N-[4-(4-ethoxyphenyl)-5-methyl-1,3-thiazol-2-yl]pentanamide?
N-[4-(4-ethoxyphenyl)-5-methyl-1,3-thiazol-2-yl]pentanamide has a molecular weight of 318.44 g/mol, XLogP of 4.65, 7 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]pentanamide is sourced from PubChem (CID 3323337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).