[4-amino-3-[3-(diethylamino)propyl]-2-sulfanylidene-1,3-thiazol-5-yl]-piperidin-1-ylmethanone

C16H28N4OS2 — CID 46287499

IUPAC[4-amino-3-[3-(diethylamino)propyl]-2-sulfanylidene-1,3-thiazol-5-yl]-piperidin-1-ylmethanone
SMILESCCN(CC)CCCn1c(N)c(C(=O)N2CCCCC2)sc1=S
InChIInChI=1S/C16H28N4OS2/c1-3-18(4-2)9-8-12-20-14(17)13(23-16(20)22)15(21)19-10-6-5-7-11-19/h3-12,17H2,1-2H3
InChIKeyUBIIRLYKRGGPQO-UHFFFAOYSA-N
MW356.56 g/mol
LogP3.22
Rot. Bonds7

About [4-amino-3-[3-(diethylamino)propyl]-2-sulfanylidene-1,3-thiazol-5-yl]-piperidin-1-ylmethanone

[4-amino-3-[3-(diethylamino)propyl]-2-sulfanylidene-1,3-thiazol-5-yl]-piperidin-1-ylmethanone (PubChem CID 46287499) has the molecular formula C16H28N4OS2 and a molecular weight of 356.56 g/mol. Its IUPAC name is [4-amino-3-[3-(diethylamino)propyl]-2-sulfanylidene-1,3-thiazol-5-yl]-piperidin-1-ylmethanone.

Molecular Properties

Compound Name[4-amino-3-[3-(diethylamino)propyl]-2-sulfanylidene-1,3-thiazol-5-yl]-piperidin-1-ylmethanone
PubChem CID46287499
Molecular FormulaC16H28N4OS2
Molecular Weight356.56 g/mol
Exact Mass356.17
IUPAC Name[4-amino-3-[3-(diethylamino)propyl]-2-sulfanylidene-1,3-thiazol-5-yl]-piperidin-1-ylmethanone
SMILESCCN(CC)CCCn1c(N)c(C(=O)N2CCCCC2)sc1=S
InChIInChI=1S/C16H28N4OS2/c1-3-18(4-2)9-8-12-20-14(17)13(23-16(20)22)15(21)19-10-6-5-7-11-19/h3-12,17H2,1-2H3
InChIKeyUBIIRLYKRGGPQO-UHFFFAOYSA-N
XLogP3.22
TPSA54.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.56
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [4-amino-3-[3-(diethylamino)propyl]-2-sulfanylidene-1,3-thiazol-5-yl]-piperidin-1-ylmethanone?
The IUPAC name of [4-amino-3-[3-(diethylamino)propyl]-2-sulfanylidene-1,3-thiazol-5-yl]-piperidin-1-ylmethanone (CID 46287499) is [4-amino-3-[3-(diethylamino)propyl]-2-sulfanylidene-1,3-thiazol-5-yl]-piperidin-1-ylmethanone.
What is the SMILES notation for [4-amino-3-[3-(diethylamino)propyl]-2-sulfanylidene-1,3-thiazol-5-yl]-piperidin-1-ylmethanone?
The canonical SMILES for [4-amino-3-[3-(diethylamino)propyl]-2-sulfanylidene-1,3-thiazol-5-yl]-piperidin-1-ylmethanone is CCN(CC)CCCn1c(N)c(C(=O)N2CCCCC2)sc1=S.
What is the InChIKey of [4-amino-3-[3-(diethylamino)propyl]-2-sulfanylidene-1,3-thiazol-5-yl]-piperidin-1-ylmethanone?
The InChIKey is UBIIRLYKRGGPQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4OS2/c1-3-18(4-2)9-8-12-20-14(17)13(23-16(20)22)15(21)19-10-6-5-7-11-19/h3-12,17H2,1-2H3.
What are the key properties of [4-amino-3-[3-(diethylamino)propyl]-2-sulfanylidene-1,3-thiazol-5-yl]-piperidin-1-ylmethanone?
[4-amino-3-[3-(diethylamino)propyl]-2-sulfanylidene-1,3-thiazol-5-yl]-piperidin-1-ylmethanone has a molecular weight of 356.56 g/mol, XLogP of 3.22, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-amino-3-[3-(diethylamino)propyl]-2-sulfanylidene-1,3-thiazol-5-yl]-piperidin-1-ylmethanone is sourced from PubChem (CID 46287499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).