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

C11H17N3OS2 — CID 5019980

IUPAC(4-amino-3-ethyl-2-sulfanylidene-1,3-thiazol-5-yl)-piperidin-1-ylmethanone
SMILESCCn1c(N)c(C(=O)N2CCCCC2)sc1=S
InChIInChI=1S/C11H17N3OS2/c1-2-14-9(12)8(17-11(14)16)10(15)13-6-4-3-5-7-13/h2-7,12H2,1H3
InChIKeyZPFFCCWMGFBOSX-UHFFFAOYSA-N
MW271.41 g/mol
LogP2.51
Rot. Bonds2

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

(4-amino-3-ethyl-2-sulfanylidene-1,3-thiazol-5-yl)-piperidin-1-ylmethanone (PubChem CID 5019980) has the molecular formula C11H17N3OS2 and a molecular weight of 271.41 g/mol. Its IUPAC name is (4-amino-3-ethyl-2-sulfanylidene-1,3-thiazol-5-yl)-piperidin-1-ylmethanone.

Molecular Properties

Compound Name(4-amino-3-ethyl-2-sulfanylidene-1,3-thiazol-5-yl)-piperidin-1-ylmethanone
PubChem CID5019980
Molecular FormulaC11H17N3OS2
Molecular Weight271.41 g/mol
Exact Mass271.08
IUPAC Name(4-amino-3-ethyl-2-sulfanylidene-1,3-thiazol-5-yl)-piperidin-1-ylmethanone
SMILESCCn1c(N)c(C(=O)N2CCCCC2)sc1=S
InChIInChI=1S/C11H17N3OS2/c1-2-14-9(12)8(17-11(14)16)10(15)13-6-4-3-5-7-13/h2-7,12H2,1H3
InChIKeyZPFFCCWMGFBOSX-UHFFFAOYSA-N
XLogP2.51
TPSA51.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.41
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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

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Launch Full Analysis

Related Compounds

4-Amino-N-cyclohexyl-3-ethyl-2-thioxo-2,3-dihydro-1,3-thiazole-5-carboxamide
CID 752652
3-Allyl-4-amino-5-(1-piperidinylcarbonyl)-1,3-thiazole-2(3H)-thione
CID 866379
4-Amino-3-[2-(diethylamino)ethyl]-5-(piperidine-1-carbonyl)-2,3-dihydro-1,3-thiazole-2-thione
CID 46287559
4-amino-N-butyl-3-cyclohexyl-2-sulfanylidene-1,3-thiazole-5-carboxamide
CID 5141611
(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-butyl-2-sulfanylidene-1,3-thiazol-5-yl)-(azepan-1-yl)methanone
CID 17683926
4-Amino-3-[3-(diethylamino)propyl]-5-(piperidine-1-carbonyl)-2,3-dihydro-1,3-thiazole-2-thione
CID 46287499

Frequently Asked Questions

What is the IUPAC name of (4-amino-3-ethyl-2-sulfanylidene-1,3-thiazol-5-yl)-piperidin-1-ylmethanone?
The IUPAC name of (4-amino-3-ethyl-2-sulfanylidene-1,3-thiazol-5-yl)-piperidin-1-ylmethanone (CID 5019980) is (4-amino-3-ethyl-2-sulfanylidene-1,3-thiazol-5-yl)-piperidin-1-ylmethanone.
What is the SMILES notation for (4-amino-3-ethyl-2-sulfanylidene-1,3-thiazol-5-yl)-piperidin-1-ylmethanone?
The canonical SMILES for (4-amino-3-ethyl-2-sulfanylidene-1,3-thiazol-5-yl)-piperidin-1-ylmethanone is CCn1c(N)c(C(=O)N2CCCCC2)sc1=S.
What is the InChIKey of (4-amino-3-ethyl-2-sulfanylidene-1,3-thiazol-5-yl)-piperidin-1-ylmethanone?
The InChIKey is ZPFFCCWMGFBOSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3OS2/c1-2-14-9(12)8(17-11(14)16)10(15)13-6-4-3-5-7-13/h2-7,12H2,1H3.
What are the key properties of (4-amino-3-ethyl-2-sulfanylidene-1,3-thiazol-5-yl)-piperidin-1-ylmethanone?
(4-amino-3-ethyl-2-sulfanylidene-1,3-thiazol-5-yl)-piperidin-1-ylmethanone has a molecular weight of 271.41 g/mol, XLogP of 2.51, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-amino-3-ethyl-2-sulfanylidene-1,3-thiazol-5-yl)-piperidin-1-ylmethanone is sourced from PubChem (CID 5019980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).