1-[5-[2-[di(propan-2-yl)amino]ethylamino]-3-methyl-1,2-thiazol-4-yl]ethanone

C14H25N3OS — CID 79375482

IUPAC1-[5-[2-[di(propan-2-yl)amino]ethylamino]-3-methyl-1,2-thiazol-4-yl]ethanone
SMILESCC(=O)c1c(C)nsc1NCCN(C(C)C)C(C)C
InChIInChI=1S/C14H25N3OS/c1-9(2)17(10(3)4)8-7-15-14-13(12(6)18)11(5)16-19-14/h9-10,15H,7-8H2,1-6H3
InChIKeyPFFZAWWVANCIFG-UHFFFAOYSA-N
MW283.44 g/mol
LogP3.18
Rot. Bonds7

About 1-[5-[2-[di(propan-2-yl)amino]ethylamino]-3-methyl-1,2-thiazol-4-yl]ethanone

1-[5-[2-[di(propan-2-yl)amino]ethylamino]-3-methyl-1,2-thiazol-4-yl]ethanone (PubChem CID 79375482) has the molecular formula C14H25N3OS and a molecular weight of 283.44 g/mol. Its IUPAC name is 1-[5-[2-[di(propan-2-yl)amino]ethylamino]-3-methyl-1,2-thiazol-4-yl]ethanone.

Molecular Properties

Compound Name1-[5-[2-[di(propan-2-yl)amino]ethylamino]-3-methyl-1,2-thiazol-4-yl]ethanone
PubChem CID79375482
Molecular FormulaC14H25N3OS
Molecular Weight283.44 g/mol
Exact Mass283.17
IUPAC Name1-[5-[2-[di(propan-2-yl)amino]ethylamino]-3-methyl-1,2-thiazol-4-yl]ethanone
SMILESCC(=O)c1c(C)nsc1NCCN(C(C)C)C(C)C
InChIInChI=1S/C14H25N3OS/c1-9(2)17(10(3)4)8-7-15-14-13(12(6)18)11(5)16-19-14/h9-10,15H,7-8H2,1-6H3
InChIKeyPFFZAWWVANCIFG-UHFFFAOYSA-N
XLogP3.18
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.44
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[5-[2-[di(propan-2-yl)amino]ethylamino]-3-methyl-1,2-thiazol-4-yl]ethanone?
The IUPAC name of 1-[5-[2-[di(propan-2-yl)amino]ethylamino]-3-methyl-1,2-thiazol-4-yl]ethanone (CID 79375482) is 1-[5-[2-[di(propan-2-yl)amino]ethylamino]-3-methyl-1,2-thiazol-4-yl]ethanone.
What is the SMILES notation for 1-[5-[2-[di(propan-2-yl)amino]ethylamino]-3-methyl-1,2-thiazol-4-yl]ethanone?
The canonical SMILES for 1-[5-[2-[di(propan-2-yl)amino]ethylamino]-3-methyl-1,2-thiazol-4-yl]ethanone is CC(=O)c1c(C)nsc1NCCN(C(C)C)C(C)C.
What is the InChIKey of 1-[5-[2-[di(propan-2-yl)amino]ethylamino]-3-methyl-1,2-thiazol-4-yl]ethanone?
The InChIKey is PFFZAWWVANCIFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3OS/c1-9(2)17(10(3)4)8-7-15-14-13(12(6)18)11(5)16-19-14/h9-10,15H,7-8H2,1-6H3.
What are the key properties of 1-[5-[2-[di(propan-2-yl)amino]ethylamino]-3-methyl-1,2-thiazol-4-yl]ethanone?
1-[5-[2-[di(propan-2-yl)amino]ethylamino]-3-methyl-1,2-thiazol-4-yl]ethanone has a molecular weight of 283.44 g/mol, XLogP of 3.18, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[2-[di(propan-2-yl)amino]ethylamino]-3-methyl-1,2-thiazol-4-yl]ethanone is sourced from PubChem (CID 79375482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).