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

C10H15N3OS2 — CID 5306059

IUPAC(4-amino-3-methyl-2-sulfanylidene-1,3-thiazol-5-yl)-piperidin-1-ylmethanone
SMILESCn1c(N)c(C(=O)N2CCCCC2)sc1=S
InChIInChI=1S/C10H15N3OS2/c1-12-8(11)7(16-10(12)15)9(14)13-5-3-2-4-6-13/h2-6,11H2,1H3
InChIKeyURUZBNRSKFWCOM-UHFFFAOYSA-N
MW257.38 g/mol
LogP2.02
Rot. Bonds1

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

(4-amino-3-methyl-2-sulfanylidene-1,3-thiazol-5-yl)-piperidin-1-ylmethanone (PubChem CID 5306059) has the molecular formula C10H15N3OS2 and a molecular weight of 257.38 g/mol. Its IUPAC name is (4-amino-3-methyl-2-sulfanylidene-1,3-thiazol-5-yl)-piperidin-1-ylmethanone.

Molecular Properties

Compound Name(4-amino-3-methyl-2-sulfanylidene-1,3-thiazol-5-yl)-piperidin-1-ylmethanone
PubChem CID5306059
Molecular FormulaC10H15N3OS2
Molecular Weight257.38 g/mol
Exact Mass257.07
IUPAC Name(4-amino-3-methyl-2-sulfanylidene-1,3-thiazol-5-yl)-piperidin-1-ylmethanone
SMILESCn1c(N)c(C(=O)N2CCCCC2)sc1=S
InChIInChI=1S/C10H15N3OS2/c1-12-8(11)7(16-10(12)15)9(14)13-5-3-2-4-6-13/h2-6,11H2,1H3
InChIKeyURUZBNRSKFWCOM-UHFFFAOYSA-N
XLogP2.02
TPSA51.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (4-amino-3-methyl-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

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-[2-(diethylamino)ethyl]-5-(piperidine-1-carbonyl)-2,3-dihydro-1,3-thiazole-2-thione
CID 46287559
[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-methyl-2-sulfanylidene-1,3-thiazol-5-yl)-piperidin-1-ylmethanone?
The IUPAC name of (4-amino-3-methyl-2-sulfanylidene-1,3-thiazol-5-yl)-piperidin-1-ylmethanone (CID 5306059) is (4-amino-3-methyl-2-sulfanylidene-1,3-thiazol-5-yl)-piperidin-1-ylmethanone.
What is the SMILES notation for (4-amino-3-methyl-2-sulfanylidene-1,3-thiazol-5-yl)-piperidin-1-ylmethanone?
The canonical SMILES for (4-amino-3-methyl-2-sulfanylidene-1,3-thiazol-5-yl)-piperidin-1-ylmethanone is Cn1c(N)c(C(=O)N2CCCCC2)sc1=S.
What is the InChIKey of (4-amino-3-methyl-2-sulfanylidene-1,3-thiazol-5-yl)-piperidin-1-ylmethanone?
The InChIKey is URUZBNRSKFWCOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3OS2/c1-12-8(11)7(16-10(12)15)9(14)13-5-3-2-4-6-13/h2-6,11H2,1H3.
What are the key properties of (4-amino-3-methyl-2-sulfanylidene-1,3-thiazol-5-yl)-piperidin-1-ylmethanone?
(4-amino-3-methyl-2-sulfanylidene-1,3-thiazol-5-yl)-piperidin-1-ylmethanone has a molecular weight of 257.38 g/mol, XLogP of 2.02, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-amino-3-methyl-2-sulfanylidene-1,3-thiazol-5-yl)-piperidin-1-ylmethanone is sourced from PubChem (CID 5306059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).