N-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]-2-(3,5-dimethylphenoxy)acetamide

C17H20N2O2S — CID 95324736

IUPACN-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]-2-(3,5-dimethylphenoxy)acetamide
SMILESCc1cc(C)cc(OCC(=O)NCc2csc(C3CC3)n2)c1
InChIInChI=1S/C17H20N2O2S/c1-11-5-12(2)7-15(6-11)21-9-16(20)18-8-14-10-22-17(19-14)13-3-4-13/h5-7,10,13H,3-4,8-9H2,1-2H3,(H,18,20)
InChIKeyBVQGTYUSPBYXII-UHFFFAOYSA-N
MW316.43 g/mol
LogP3.33
Rot. Bonds6

About N-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]-2-(3,5-dimethylphenoxy)acetamide

N-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]-2-(3,5-dimethylphenoxy)acetamide (PubChem CID 95324736) has the molecular formula C17H20N2O2S and a molecular weight of 316.43 g/mol. Its IUPAC name is N-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]-2-(3,5-dimethylphenoxy)acetamide.

Molecular Properties

Compound NameN-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]-2-(3,5-dimethylphenoxy)acetamide
PubChem CID95324736
Molecular FormulaC17H20N2O2S
Molecular Weight316.43 g/mol
Exact Mass316.12
IUPAC NameN-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]-2-(3,5-dimethylphenoxy)acetamide
SMILESCc1cc(C)cc(OCC(=O)NCc2csc(C3CC3)n2)c1
InChIInChI=1S/C17H20N2O2S/c1-11-5-12(2)7-15(6-11)21-9-16(20)18-8-14-10-22-17(19-14)13-3-4-13/h5-7,10,13H,3-4,8-9H2,1-2H3,(H,18,20)
InChIKeyBVQGTYUSPBYXII-UHFFFAOYSA-N
XLogP3.33
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.43
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]-3-ethoxy-1H-pyrazole-5-carboxamide
CID 95749654
N-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]-4-methylthiadiazole-5-carboxamide
CID 95749634
N-[[2-[1-(3,5-dimethylphenyl)sulfonylpiperidin-4-yl]-1,3-thiazol-4-yl]methyl]acetamide
CID 71842140
N-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]-3-(2-methoxyphenyl)propanamide
CID 110727983
N-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 95324636
N-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]-2-ethylbutanamide
CID 75358505
1-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]-3-(thian-3-yl)urea
CID 71978881
N-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]-3-thiophen-2-ylpropanamide
CID 95324633
N-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]-3-(1-methylpyrazol-4-yl)propanamide
CID 91938268
N-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]ethanamine
CID 61281051
2-(4-methoxyphenoxy)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]acetamide
CID 23612988
N-[[2-[1-(3,5-dimethylphenyl)sulfonylpiperidin-4-yl]-1,3-thiazol-4-yl]methyl]cyclopropanecarboxamide
CID 71842117

Frequently Asked Questions

What is the IUPAC name of N-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]-2-(3,5-dimethylphenoxy)acetamide?
The IUPAC name of N-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]-2-(3,5-dimethylphenoxy)acetamide (CID 95324736) is N-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]-2-(3,5-dimethylphenoxy)acetamide.
What is the SMILES notation for N-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]-2-(3,5-dimethylphenoxy)acetamide?
The canonical SMILES for N-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]-2-(3,5-dimethylphenoxy)acetamide is Cc1cc(C)cc(OCC(=O)NCc2csc(C3CC3)n2)c1.
What is the InChIKey of N-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]-2-(3,5-dimethylphenoxy)acetamide?
The InChIKey is BVQGTYUSPBYXII-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O2S/c1-11-5-12(2)7-15(6-11)21-9-16(20)18-8-14-10-22-17(19-14)13-3-4-13/h5-7,10,13H,3-4,8-9H2,1-2H3,(H,18,20).
What are the key properties of N-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]-2-(3,5-dimethylphenoxy)acetamide?
N-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]-2-(3,5-dimethylphenoxy)acetamide has a molecular weight of 316.43 g/mol, XLogP of 3.33, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]-2-(3,5-dimethylphenoxy)acetamide is sourced from PubChem (CID 95324736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).