N-[2-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]ethyl]-2-methylpropanamide

C16H20N2O2S — CID 39071665

IUPACN-[2-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]ethyl]-2-methylpropanamide
SMILESCOc1ccc(-c2csc(CCNC(=O)C(C)C)n2)cc1
InChIInChI=1S/C16H20N2O2S/c1-11(2)16(19)17-9-8-15-18-14(10-21-15)12-4-6-13(20-3)7-5-12/h4-7,10-11H,8-9H2,1-3H3,(H,17,19)
InChIKeyXRSYSSLORQKFOU-UHFFFAOYSA-N
MW304.42 g/mol
LogP3.13
Rot. Bonds6

About N-[2-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]ethyl]-2-methylpropanamide

N-[2-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]ethyl]-2-methylpropanamide (PubChem CID 39071665) has the molecular formula C16H20N2O2S and a molecular weight of 304.42 g/mol. Its IUPAC name is N-[2-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]ethyl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[2-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]ethyl]-2-methylpropanamide
PubChem CID39071665
Molecular FormulaC16H20N2O2S
Molecular Weight304.42 g/mol
Exact Mass304.12
IUPAC NameN-[2-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]ethyl]-2-methylpropanamide
SMILESCOc1ccc(-c2csc(CCNC(=O)C(C)C)n2)cc1
InChIInChI=1S/C16H20N2O2S/c1-11(2)16(19)17-9-8-15-18-14(10-21-15)12-4-6-13(20-3)7-5-12/h4-7,10-11H,8-9H2,1-3H3,(H,17,19)
InChIKeyXRSYSSLORQKFOU-UHFFFAOYSA-N
XLogP3.13
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.42
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]ethyl]-2,2-diphenylacetamide
CID 39071719
1-(4-methoxyphenyl)-3-[2-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]ethyl]urea
CID 71691444
N-[2-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]ethyl]-4-methoxybenzamide
CID 1497766
3-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-N-(2-propan-2-yloxyethyl)propanamide
CID 110418857
(2R)-2-amino-N-[2-(4-pyridin-4-yl-1,3-thiazol-2-yl)ethyl]propanamide;dihydrochloride
CID 119874734
N-[2-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]ethyl]-2,5-dimethylfuran-3-carboxamide
CID 75537694
2-(1,3-dioxoisoindol-2-yl)-N-[2-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]ethyl]acetamide
CID 39071753
2-(2,4-dioxo-1H-pyrimidin-5-yl)-N-[2-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]ethyl]acetamide
CID 46972199
2-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]ethylazanium
CID 7241954
N-[2-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]ethyl]-2-(2-phenoxyethoxy)acetamide
CID 47076382
N-[2-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]ethyl]oxolane-2-carboxamide
CID 52985500
3-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-N-[(2-methylphenyl)methyl]propanamide
CID 110409063

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]ethyl]-2-methylpropanamide?
The IUPAC name of N-[2-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]ethyl]-2-methylpropanamide (CID 39071665) is N-[2-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]ethyl]-2-methylpropanamide.
What is the SMILES notation for N-[2-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]ethyl]-2-methylpropanamide?
The canonical SMILES for N-[2-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]ethyl]-2-methylpropanamide is COc1ccc(-c2csc(CCNC(=O)C(C)C)n2)cc1.
What is the InChIKey of N-[2-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]ethyl]-2-methylpropanamide?
The InChIKey is XRSYSSLORQKFOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2S/c1-11(2)16(19)17-9-8-15-18-14(10-21-15)12-4-6-13(20-3)7-5-12/h4-7,10-11H,8-9H2,1-3H3,(H,17,19).
What are the key properties of N-[2-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]ethyl]-2-methylpropanamide?
N-[2-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]ethyl]-2-methylpropanamide has a molecular weight of 304.42 g/mol, XLogP of 3.13, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]ethyl]-2-methylpropanamide is sourced from PubChem (CID 39071665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).