2,2-dimethyl-N-[4-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]-1,3-thiazol-2-yl]propanamide

C19H25N3O2S — CID 41227867

IUPAC2,2-dimethyl-N-[4-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]-1,3-thiazol-2-yl]propanamide
SMILESCc1cc(C)c(NC(=O)Cc2csc(NC(=O)C(C)(C)C)n2)c(C)c1
InChIInChI=1S/C19H25N3O2S/c1-11-7-12(2)16(13(3)8-11)21-15(23)9-14-10-25-18(20-14)22-17(24)19(4,5)6/h7-8,10H,9H2,1-6H3,(H,21,23)(H,20,22,24)
InChIKeyNCECLVCPTBAIAQ-UHFFFAOYSA-N
MW359.50 g/mol
LogP4.23
Rot. Bonds4

About 2,2-dimethyl-N-[4-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]-1,3-thiazol-2-yl]propanamide

2,2-dimethyl-N-[4-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]-1,3-thiazol-2-yl]propanamide (PubChem CID 41227867) has the molecular formula C19H25N3O2S and a molecular weight of 359.50 g/mol. Its IUPAC name is 2,2-dimethyl-N-[4-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]-1,3-thiazol-2-yl]propanamide.

Molecular Properties

Compound Name2,2-dimethyl-N-[4-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]-1,3-thiazol-2-yl]propanamide
PubChem CID41227867
Molecular FormulaC19H25N3O2S
Molecular Weight359.50 g/mol
Exact Mass359.17
IUPAC Name2,2-dimethyl-N-[4-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]-1,3-thiazol-2-yl]propanamide
SMILESCc1cc(C)c(NC(=O)Cc2csc(NC(=O)C(C)(C)C)n2)c(C)c1
InChIInChI=1S/C19H25N3O2S/c1-11-7-12(2)16(13(3)8-11)21-15(23)9-14-10-25-18(20-14)22-17(24)19(4,5)6/h7-8,10H,9H2,1-6H3,(H,21,23)(H,20,22,24)
InChIKeyNCECLVCPTBAIAQ-UHFFFAOYSA-N
XLogP4.23
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.50
LogP ≤ 54.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-[2-(5-amino-2-methylanilino)-2-oxoethyl]-1,3-thiazol-2-yl]-2,2-dimethylpropanamide
CID 120568826
4-fluoro-N-[4-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]-1,3-thiazol-2-yl]benzamide
CID 41228732
4-methoxy-N-[4-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]-1,3-thiazol-2-yl]benzamide
CID 27463148
2-[2-(cyclopentylcarbamoylamino)-1,3-thiazol-4-yl]-N-(2,4,6-trimethylphenyl)acetamide
CID 27463137
N-[4-[2-[4-(diethylamino)-2-methylanilino]-2-oxoethyl]-1,3-thiazol-2-yl]-2,2-dimethylpropanamide
CID 41160013
N-[4-[2-(3-fluoroanilino)-2-oxoethyl]-1,3-thiazol-2-yl]-2,2-dimethylpropanamide
CID 27397465
N-[4-[2-(cyclopentylamino)-2-oxoethyl]-1,3-thiazol-2-yl]-2,2-dimethylpropanamide
CID 18568227
3-[[2-[2-(2,2-dimethylpropanoylamino)-1,3-thiazol-4-yl]acetyl]amino]propanoic acid
CID 119350986
N-[4-[2-[(2-amino-2-ethylbutyl)amino]-2-oxoethyl]-1,3-thiazol-2-yl]-2,2-dimethylpropanamide
CID 119641765
N-[4-[2-(2-amino-5-methoxyanilino)-2-oxoethyl]-1,3-thiazol-2-yl]-2,2-dimethylpropanamide;dihydrochloride
CID 119421203
2,2-dimethyl-N-[4-(2-oxo-2-pyrrolidin-1-ylethyl)-1,3-thiazol-2-yl]propanamide
CID 41227592
N-(2,4-dimethylphenyl)-2-[2-(ethylamino)-1,3-thiazol-4-yl]acetamide
CID 18525097

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-[4-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]-1,3-thiazol-2-yl]propanamide?
The IUPAC name of 2,2-dimethyl-N-[4-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]-1,3-thiazol-2-yl]propanamide (CID 41227867) is 2,2-dimethyl-N-[4-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]-1,3-thiazol-2-yl]propanamide.
What is the SMILES notation for 2,2-dimethyl-N-[4-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]-1,3-thiazol-2-yl]propanamide?
The canonical SMILES for 2,2-dimethyl-N-[4-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]-1,3-thiazol-2-yl]propanamide is Cc1cc(C)c(NC(=O)Cc2csc(NC(=O)C(C)(C)C)n2)c(C)c1.
What is the InChIKey of 2,2-dimethyl-N-[4-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]-1,3-thiazol-2-yl]propanamide?
The InChIKey is NCECLVCPTBAIAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O2S/c1-11-7-12(2)16(13(3)8-11)21-15(23)9-14-10-25-18(20-14)22-17(24)19(4,5)6/h7-8,10H,9H2,1-6H3,(H,21,23)(H,20,22,24).
What are the key properties of 2,2-dimethyl-N-[4-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]-1,3-thiazol-2-yl]propanamide?
2,2-dimethyl-N-[4-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]-1,3-thiazol-2-yl]propanamide has a molecular weight of 359.50 g/mol, XLogP of 4.23, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-[4-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]-1,3-thiazol-2-yl]propanamide is sourced from PubChem (CID 41227867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).