3-[[2-[acetyl(ethyl)amino]-1,3-thiazol-4-yl]methylamino]-N,2,2-trimethylpropanamide

C14H24N4O2S — CID 103824393

IUPAC3-[[2-[acetyl(ethyl)amino]-1,3-thiazol-4-yl]methylamino]-N,2,2-trimethylpropanamide
SMILESCCN(C(C)=O)c1nc(CNCC(C)(C)C(=O)NC)cs1
InChIInChI=1S/C14H24N4O2S/c1-6-18(10(2)19)13-17-11(8-21-13)7-16-9-14(3,4)12(20)15-5/h8,16H,6-7,9H2,1-5H3,(H,15,20)
InChIKeyJEGGMJMTLUHJRV-UHFFFAOYSA-N
MW312.44 g/mol
LogP1.38
Rot. Bonds7

About 3-[[2-[acetyl(ethyl)amino]-1,3-thiazol-4-yl]methylamino]-N,2,2-trimethylpropanamide

3-[[2-[acetyl(ethyl)amino]-1,3-thiazol-4-yl]methylamino]-N,2,2-trimethylpropanamide (PubChem CID 103824393) has the molecular formula C14H24N4O2S and a molecular weight of 312.44 g/mol. Its IUPAC name is 3-[[2-[acetyl(ethyl)amino]-1,3-thiazol-4-yl]methylamino]-N,2,2-trimethylpropanamide.

Molecular Properties

Compound Name3-[[2-[acetyl(ethyl)amino]-1,3-thiazol-4-yl]methylamino]-N,2,2-trimethylpropanamide
PubChem CID103824393
Molecular FormulaC14H24N4O2S
Molecular Weight312.44 g/mol
Exact Mass312.16
IUPAC Name3-[[2-[acetyl(ethyl)amino]-1,3-thiazol-4-yl]methylamino]-N,2,2-trimethylpropanamide
SMILESCCN(C(C)=O)c1nc(CNCC(C)(C)C(=O)NC)cs1
InChIInChI=1S/C14H24N4O2S/c1-6-18(10(2)19)13-17-11(8-21-13)7-16-9-14(3,4)12(20)15-5/h8,16H,6-7,9H2,1-5H3,(H,15,20)
InChIKeyJEGGMJMTLUHJRV-UHFFFAOYSA-N
XLogP1.38
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.44
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[[2-[acetyl(ethyl)amino]-1,3-thiazol-4-yl]methylamino]-N,2,2-trimethylpropanamide?
The IUPAC name of 3-[[2-[acetyl(ethyl)amino]-1,3-thiazol-4-yl]methylamino]-N,2,2-trimethylpropanamide (CID 103824393) is 3-[[2-[acetyl(ethyl)amino]-1,3-thiazol-4-yl]methylamino]-N,2,2-trimethylpropanamide.
What is the SMILES notation for 3-[[2-[acetyl(ethyl)amino]-1,3-thiazol-4-yl]methylamino]-N,2,2-trimethylpropanamide?
The canonical SMILES for 3-[[2-[acetyl(ethyl)amino]-1,3-thiazol-4-yl]methylamino]-N,2,2-trimethylpropanamide is CCN(C(C)=O)c1nc(CNCC(C)(C)C(=O)NC)cs1.
What is the InChIKey of 3-[[2-[acetyl(ethyl)amino]-1,3-thiazol-4-yl]methylamino]-N,2,2-trimethylpropanamide?
The InChIKey is JEGGMJMTLUHJRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O2S/c1-6-18(10(2)19)13-17-11(8-21-13)7-16-9-14(3,4)12(20)15-5/h8,16H,6-7,9H2,1-5H3,(H,15,20).
What are the key properties of 3-[[2-[acetyl(ethyl)amino]-1,3-thiazol-4-yl]methylamino]-N,2,2-trimethylpropanamide?
3-[[2-[acetyl(ethyl)amino]-1,3-thiazol-4-yl]methylamino]-N,2,2-trimethylpropanamide has a molecular weight of 312.44 g/mol, XLogP of 1.38, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-[acetyl(ethyl)amino]-1,3-thiazol-4-yl]methylamino]-N,2,2-trimethylpropanamide is sourced from PubChem (CID 103824393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).