1-[4-amino-2-[(1-tert-butylpiperidin-3-yl)amino]-1,3-thiazol-5-yl]ethanone

C14H24N4OS — CID 91409364

IUPAC1-[4-amino-2-[(1-tert-butylpiperidin-3-yl)amino]-1,3-thiazol-5-yl]ethanone
SMILESCC(=O)c1sc(NC2CCCN(C(C)(C)C)C2)nc1N
InChIInChI=1S/C14H24N4OS/c1-9(19)11-12(15)17-13(20-11)16-10-6-5-7-18(8-10)14(2,3)4/h10H,5-8,15H2,1-4H3,(H,16,17)
InChIKeyICONEOUTYPJLSD-UHFFFAOYSA-N
MW296.44 g/mol
LogP2.60
Rot. Bonds3

About 1-[4-amino-2-[(1-tert-butylpiperidin-3-yl)amino]-1,3-thiazol-5-yl]ethanone

1-[4-amino-2-[(1-tert-butylpiperidin-3-yl)amino]-1,3-thiazol-5-yl]ethanone (PubChem CID 91409364) has the molecular formula C14H24N4OS and a molecular weight of 296.44 g/mol. Its IUPAC name is 1-[4-amino-2-[(1-tert-butylpiperidin-3-yl)amino]-1,3-thiazol-5-yl]ethanone.

Molecular Properties

Compound Name1-[4-amino-2-[(1-tert-butylpiperidin-3-yl)amino]-1,3-thiazol-5-yl]ethanone
PubChem CID91409364
Molecular FormulaC14H24N4OS
Molecular Weight296.44 g/mol
Exact Mass296.17
IUPAC Name1-[4-amino-2-[(1-tert-butylpiperidin-3-yl)amino]-1,3-thiazol-5-yl]ethanone
SMILESCC(=O)c1sc(NC2CCCN(C(C)(C)C)C2)nc1N
InChIInChI=1S/C14H24N4OS/c1-9(19)11-12(15)17-13(20-11)16-10-6-5-7-18(8-10)14(2,3)4/h10H,5-8,15H2,1-4H3,(H,16,17)
InChIKeyICONEOUTYPJLSD-UHFFFAOYSA-N
XLogP2.60
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.44
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[4-amino-2-[(1-tert-butylpiperidin-3-yl)amino]-1,3-thiazol-5-yl]ethanone?
The IUPAC name of 1-[4-amino-2-[(1-tert-butylpiperidin-3-yl)amino]-1,3-thiazol-5-yl]ethanone (CID 91409364) is 1-[4-amino-2-[(1-tert-butylpiperidin-3-yl)amino]-1,3-thiazol-5-yl]ethanone.
What is the SMILES notation for 1-[4-amino-2-[(1-tert-butylpiperidin-3-yl)amino]-1,3-thiazol-5-yl]ethanone?
The canonical SMILES for 1-[4-amino-2-[(1-tert-butylpiperidin-3-yl)amino]-1,3-thiazol-5-yl]ethanone is CC(=O)c1sc(NC2CCCN(C(C)(C)C)C2)nc1N.
What is the InChIKey of 1-[4-amino-2-[(1-tert-butylpiperidin-3-yl)amino]-1,3-thiazol-5-yl]ethanone?
The InChIKey is ICONEOUTYPJLSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4OS/c1-9(19)11-12(15)17-13(20-11)16-10-6-5-7-18(8-10)14(2,3)4/h10H,5-8,15H2,1-4H3,(H,16,17).
What are the key properties of 1-[4-amino-2-[(1-tert-butylpiperidin-3-yl)amino]-1,3-thiazol-5-yl]ethanone?
1-[4-amino-2-[(1-tert-butylpiperidin-3-yl)amino]-1,3-thiazol-5-yl]ethanone has a molecular weight of 296.44 g/mol, XLogP of 2.60, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-amino-2-[(1-tert-butylpiperidin-3-yl)amino]-1,3-thiazol-5-yl]ethanone is sourced from PubChem (CID 91409364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).