N-[4-[2-(2-amino-2-oxoethyl)-1,3-thiazol-4-yl]phenyl]-2,2-dimethylpropanamide

C16H19N3O2S — CID 9174046

IUPACN-[4-[2-(2-amino-2-oxoethyl)-1,3-thiazol-4-yl]phenyl]-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)Nc1ccc(-c2csc(CC(N)=O)n2)cc1
InChIInChI=1S/C16H19N3O2S/c1-16(2,3)15(21)18-11-6-4-10(5-7-11)12-9-22-14(19-12)8-13(17)20/h4-7,9H,8H2,1-3H3,(H2,17,20)(H,18,21)
InChIKeyGTPDHQRFINGCNT-UHFFFAOYSA-N
MW317.41 g/mol
LogP2.82
Rot. Bonds4

About N-[4-[2-(2-amino-2-oxoethyl)-1,3-thiazol-4-yl]phenyl]-2,2-dimethylpropanamide

N-[4-[2-(2-amino-2-oxoethyl)-1,3-thiazol-4-yl]phenyl]-2,2-dimethylpropanamide (PubChem CID 9174046) has the molecular formula C16H19N3O2S and a molecular weight of 317.41 g/mol. Its IUPAC name is N-[4-[2-(2-amino-2-oxoethyl)-1,3-thiazol-4-yl]phenyl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[4-[2-(2-amino-2-oxoethyl)-1,3-thiazol-4-yl]phenyl]-2,2-dimethylpropanamide
PubChem CID9174046
Molecular FormulaC16H19N3O2S
Molecular Weight317.41 g/mol
Exact Mass317.12
IUPAC NameN-[4-[2-(2-amino-2-oxoethyl)-1,3-thiazol-4-yl]phenyl]-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)Nc1ccc(-c2csc(CC(N)=O)n2)cc1
InChIInChI=1S/C16H19N3O2S/c1-16(2,3)15(21)18-11-6-4-10(5-7-11)12-9-22-14(19-12)8-13(17)20/h4-7,9H,8H2,1-3H3,(H2,17,20)(H,18,21)
InChIKeyGTPDHQRFINGCNT-UHFFFAOYSA-N
XLogP2.82
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.41
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(4-methylsulfanylphenyl)-1,3-thiazol-2-yl]acetamide
CID 116970137
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CID 9356429
2-[4-[[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]acetyl]amino]phenyl]acetamide
CID 31862065
2-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-N-(4-methylphenyl)acetamide
CID 8962915
2,2-dimethyl-N-[4-[2-(1H-1,2,4-triazol-5-yl)-1,3-thiazol-4-yl]phenyl]propanamide
CID 122154728
N-[4-[2,6-bis[4-(2,2-dimethylpropanoylamino)phenyl]pyrimidin-4-yl]phenyl]-2,2-dimethylpropanamide
CID 2835770
2-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-N-(4-ethylphenyl)acetamide
CID 8964779
2-[4-[4-[(3S)-3-acetamidobutyl]phenyl]-1,3-thiazol-2-yl]acetamide
CID 9174080
2-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-yl]acetamide
CID 9174069
N-[4-[2-[2-(methylamino)ethyl]-1,3-thiazol-4-yl]phenyl]acetamide
CID 82103470
2,2-dimethyl-N-[4-(4-methylsulfanylphenyl)-1,3-thiazol-2-yl]propanamide
CID 112767499
N-[4-[2-[(dimethylcarbamoylamino)methyl]-1,3-thiazol-4-yl]phenyl]acetamide
CID 110351824

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(2-amino-2-oxoethyl)-1,3-thiazol-4-yl]phenyl]-2,2-dimethylpropanamide?
The IUPAC name of N-[4-[2-(2-amino-2-oxoethyl)-1,3-thiazol-4-yl]phenyl]-2,2-dimethylpropanamide (CID 9174046) is N-[4-[2-(2-amino-2-oxoethyl)-1,3-thiazol-4-yl]phenyl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[4-[2-(2-amino-2-oxoethyl)-1,3-thiazol-4-yl]phenyl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[4-[2-(2-amino-2-oxoethyl)-1,3-thiazol-4-yl]phenyl]-2,2-dimethylpropanamide is CC(C)(C)C(=O)Nc1ccc(-c2csc(CC(N)=O)n2)cc1.
What is the InChIKey of N-[4-[2-(2-amino-2-oxoethyl)-1,3-thiazol-4-yl]phenyl]-2,2-dimethylpropanamide?
The InChIKey is GTPDHQRFINGCNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2S/c1-16(2,3)15(21)18-11-6-4-10(5-7-11)12-9-22-14(19-12)8-13(17)20/h4-7,9H,8H2,1-3H3,(H2,17,20)(H,18,21).
What are the key properties of N-[4-[2-(2-amino-2-oxoethyl)-1,3-thiazol-4-yl]phenyl]-2,2-dimethylpropanamide?
N-[4-[2-(2-amino-2-oxoethyl)-1,3-thiazol-4-yl]phenyl]-2,2-dimethylpropanamide has a molecular weight of 317.41 g/mol, XLogP of 2.82, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(2-amino-2-oxoethyl)-1,3-thiazol-4-yl]phenyl]-2,2-dimethylpropanamide is sourced from PubChem (CID 9174046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).