N-[4-[2-(2-amino-5-methoxyanilino)-2-oxoethyl]-1,3-thiazol-2-yl]-2-methylpropanamide

C16H20N4O3S — CID 119420969

IUPACN-[4-[2-(2-amino-5-methoxyanilino)-2-oxoethyl]-1,3-thiazol-2-yl]-2-methylpropanamide
SMILESCOc1ccc(N)c(NC(=O)Cc2csc(NC(=O)C(C)C)n2)c1
InChIInChI=1S/C16H20N4O3S/c1-9(2)15(22)20-16-18-10(8-24-16)6-14(21)19-13-7-11(23-3)4-5-12(13)17/h4-5,7-9H,6,17H2,1-3H3,(H,19,21)(H,18,20,22)
InChIKeyBWBQCELFBURYKG-UHFFFAOYSA-N
MW348.43 g/mol
LogP2.51
Rot. Bonds6

About N-[4-[2-(2-amino-5-methoxyanilino)-2-oxoethyl]-1,3-thiazol-2-yl]-2-methylpropanamide

N-[4-[2-(2-amino-5-methoxyanilino)-2-oxoethyl]-1,3-thiazol-2-yl]-2-methylpropanamide (PubChem CID 119420969) has the molecular formula C16H20N4O3S and a molecular weight of 348.43 g/mol. Its IUPAC name is N-[4-[2-(2-amino-5-methoxyanilino)-2-oxoethyl]-1,3-thiazol-2-yl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[4-[2-(2-amino-5-methoxyanilino)-2-oxoethyl]-1,3-thiazol-2-yl]-2-methylpropanamide
PubChem CID119420969
Molecular FormulaC16H20N4O3S
Molecular Weight348.43 g/mol
Exact Mass348.13
IUPAC NameN-[4-[2-(2-amino-5-methoxyanilino)-2-oxoethyl]-1,3-thiazol-2-yl]-2-methylpropanamide
SMILESCOc1ccc(N)c(NC(=O)Cc2csc(NC(=O)C(C)C)n2)c1
InChIInChI=1S/C16H20N4O3S/c1-9(2)15(22)20-16-18-10(8-24-16)6-14(21)19-13-7-11(23-3)4-5-12(13)17/h4-5,7-9H,6,17H2,1-3H3,(H,19,21)(H,18,20,22)
InChIKeyBWBQCELFBURYKG-UHFFFAOYSA-N
XLogP2.51
TPSA106.34 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.43
LogP ≤ 52.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-[4-[2-(2-amino-5-methoxyanilino)-2-oxoethyl]-1,3-thiazol-2-yl]-2,2-dimethylpropanamide;dihydrochloride
CID 119421203
N-[4-[2-[(6-amino-1,3-benzodioxol-5-yl)amino]-2-oxoethyl]-1,3-thiazol-2-yl]-2-methylpropanamide
CID 119618303
2-[2-(2,5-dimethoxyanilino)-1,3-thiazol-4-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 30941542
N-(2,5-dimethoxyphenyl)-2-[2-[(4-fluorophenyl)carbamoylamino]-1,3-thiazol-4-yl]acetamide
CID 41211910
2-[2-[(3-chlorophenyl)carbamoylamino]-1,3-thiazol-4-yl]-N-(2,5-dimethoxyphenyl)acetamide
CID 18567627
2-(2-anilino-1,3-thiazol-4-yl)-N-(2,4-dimethoxyphenyl)acetamide
CID 30940318
N-(2-amino-5-methoxyphenyl)-2-(2-methoxyphenyl)acetamide
CID 63257795
N-[4-[2-[4-(4-methoxybenzoyl)piperazin-1-yl]-2-oxoethyl]-1,3-thiazol-2-yl]-2-methylpropanamide
CID 55774566
2-[2-[(3-chlorophenyl)carbamoylamino]-1,3-thiazol-4-yl]-N-(2,4-dimethoxyphenyl)acetamide
CID 18567626
N-[4-[2-[(2-amino-2-methylpropyl)amino]-2-oxoethyl]-1,3-thiazol-2-yl]-2-methylpropanamide;dihydrochloride
CID 119627196
N-(3-methoxyphenyl)-2-[2-[(2-methoxyphenyl)carbamoylamino]-1,3-thiazol-4-yl]acetamide
CID 18567660
2-[2-(2,5-dimethoxyanilino)-1,3-thiazol-4-yl]-N-(4-methylphenyl)acetamide
CID 27377933

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(2-amino-5-methoxyanilino)-2-oxoethyl]-1,3-thiazol-2-yl]-2-methylpropanamide?
The IUPAC name of N-[4-[2-(2-amino-5-methoxyanilino)-2-oxoethyl]-1,3-thiazol-2-yl]-2-methylpropanamide (CID 119420969) is N-[4-[2-(2-amino-5-methoxyanilino)-2-oxoethyl]-1,3-thiazol-2-yl]-2-methylpropanamide.
What is the SMILES notation for N-[4-[2-(2-amino-5-methoxyanilino)-2-oxoethyl]-1,3-thiazol-2-yl]-2-methylpropanamide?
The canonical SMILES for N-[4-[2-(2-amino-5-methoxyanilino)-2-oxoethyl]-1,3-thiazol-2-yl]-2-methylpropanamide is COc1ccc(N)c(NC(=O)Cc2csc(NC(=O)C(C)C)n2)c1.
What is the InChIKey of N-[4-[2-(2-amino-5-methoxyanilino)-2-oxoethyl]-1,3-thiazol-2-yl]-2-methylpropanamide?
The InChIKey is BWBQCELFBURYKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O3S/c1-9(2)15(22)20-16-18-10(8-24-16)6-14(21)19-13-7-11(23-3)4-5-12(13)17/h4-5,7-9H,6,17H2,1-3H3,(H,19,21)(H,18,20,22).
What are the key properties of N-[4-[2-(2-amino-5-methoxyanilino)-2-oxoethyl]-1,3-thiazol-2-yl]-2-methylpropanamide?
N-[4-[2-(2-amino-5-methoxyanilino)-2-oxoethyl]-1,3-thiazol-2-yl]-2-methylpropanamide has a molecular weight of 348.43 g/mol, XLogP of 2.51, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(2-amino-5-methoxyanilino)-2-oxoethyl]-1,3-thiazol-2-yl]-2-methylpropanamide is sourced from PubChem (CID 119420969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).