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

C15H26N4OS2 — CID 46287559

IUPAC[4-amino-3-[2-(diethylamino)ethyl]-2-sulfanylidene-1,3-thiazol-5-yl]-piperidin-1-ylmethanone
SMILESCCN(CC)CCn1c(N)c(C(=O)N2CCCCC2)sc1=S
InChIInChI=1S/C15H26N4OS2/c1-3-17(4-2)10-11-19-13(16)12(22-15(19)21)14(20)18-8-6-5-7-9-18/h3-11,16H2,1-2H3
InChIKeyVPTKCWKFZXTUFI-UHFFFAOYSA-N
MW342.53 g/mol
LogP2.83
Rot. Bonds6

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

[4-amino-3-[2-(diethylamino)ethyl]-2-sulfanylidene-1,3-thiazol-5-yl]-piperidin-1-ylmethanone (PubChem CID 46287559) has the molecular formula C15H26N4OS2 and a molecular weight of 342.53 g/mol. Its IUPAC name is [4-amino-3-[2-(diethylamino)ethyl]-2-sulfanylidene-1,3-thiazol-5-yl]-piperidin-1-ylmethanone.

Molecular Properties

Compound Name[4-amino-3-[2-(diethylamino)ethyl]-2-sulfanylidene-1,3-thiazol-5-yl]-piperidin-1-ylmethanone
PubChem CID46287559
Molecular FormulaC15H26N4OS2
Molecular Weight342.53 g/mol
Exact Mass342.15
IUPAC Name[4-amino-3-[2-(diethylamino)ethyl]-2-sulfanylidene-1,3-thiazol-5-yl]-piperidin-1-ylmethanone
SMILESCCN(CC)CCn1c(N)c(C(=O)N2CCCCC2)sc1=S
InChIInChI=1S/C15H26N4OS2/c1-3-17(4-2)10-11-19-13(16)12(22-15(19)21)14(20)18-8-6-5-7-9-18/h3-11,16H2,1-2H3
InChIKeyVPTKCWKFZXTUFI-UHFFFAOYSA-N
XLogP2.83
TPSA54.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.53
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze [4-amino-3-[2-(diethylamino)ethyl]-2-sulfanylidene-1,3-thiazol-5-yl]-piperidin-1-ylmethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-Allyl-4-amino-5-((4-methyl-1-piperazinyl)carbonyl)-1,3-thiazole-2(3H)-thione
CID 752646
4-Amino-3-ethyl-5-(1-piperidinylcarbonyl)-1,3-thiazole-2(3H)-thione
CID 5019980
3-Allyl-4-amino-5-(1-piperidinylcarbonyl)-1,3-thiazole-2(3H)-thione
CID 866379
(4-Amino-3-methyl-2-thioxo-2,3-dihydro-1,3-thiazol-5-yl)(piperidin-1-yl)methanone
CID 5306059
[4-Amino-3-(2-methoxyethyl)-2-sulfanylidene-1,3-thiazol-5-yl]-piperidin-1-ylmethanone
CID 17683925
4-Amino-3-[3-(diethylamino)propyl]-5-(piperidine-1-carbonyl)-2,3-dihydro-1,3-thiazole-2-thione
CID 46287499
4-Amino-3-[2-(diethylamino)ethyl]-2-sulfanylidene-2,3-dihydro-1,3-thiazole-5-carboxamide
CID 46287554
4-Amino-3-[2-(diethylamino)ethyl]-5-(pyrrolidine-1-carbonyl)-2,3-dihydro-1,3-thiazole-2-thione
CID 46287558

Frequently Asked Questions

What is the IUPAC name of [4-amino-3-[2-(diethylamino)ethyl]-2-sulfanylidene-1,3-thiazol-5-yl]-piperidin-1-ylmethanone?
The IUPAC name of [4-amino-3-[2-(diethylamino)ethyl]-2-sulfanylidene-1,3-thiazol-5-yl]-piperidin-1-ylmethanone (CID 46287559) is [4-amino-3-[2-(diethylamino)ethyl]-2-sulfanylidene-1,3-thiazol-5-yl]-piperidin-1-ylmethanone.
What is the SMILES notation for [4-amino-3-[2-(diethylamino)ethyl]-2-sulfanylidene-1,3-thiazol-5-yl]-piperidin-1-ylmethanone?
The canonical SMILES for [4-amino-3-[2-(diethylamino)ethyl]-2-sulfanylidene-1,3-thiazol-5-yl]-piperidin-1-ylmethanone is CCN(CC)CCn1c(N)c(C(=O)N2CCCCC2)sc1=S.
What is the InChIKey of [4-amino-3-[2-(diethylamino)ethyl]-2-sulfanylidene-1,3-thiazol-5-yl]-piperidin-1-ylmethanone?
The InChIKey is VPTKCWKFZXTUFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4OS2/c1-3-17(4-2)10-11-19-13(16)12(22-15(19)21)14(20)18-8-6-5-7-9-18/h3-11,16H2,1-2H3.
What are the key properties of [4-amino-3-[2-(diethylamino)ethyl]-2-sulfanylidene-1,3-thiazol-5-yl]-piperidin-1-ylmethanone?
[4-amino-3-[2-(diethylamino)ethyl]-2-sulfanylidene-1,3-thiazol-5-yl]-piperidin-1-ylmethanone has a molecular weight of 342.53 g/mol, XLogP of 2.83, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-amino-3-[2-(diethylamino)ethyl]-2-sulfanylidene-1,3-thiazol-5-yl]-piperidin-1-ylmethanone is sourced from PubChem (CID 46287559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).