N-(1-methylpiperidin-4-yl)-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)acetamide

C12H19N3OS2 — CID 47293453

IUPACN-(1-methylpiperidin-4-yl)-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)acetamide
SMILESCc1[nH]c(=S)sc1CC(=O)NC1CCN(C)CC1
InChIInChI=1S/C12H19N3OS2/c1-8-10(18-12(17)13-8)7-11(16)14-9-3-5-15(2)6-4-9/h9H,3-7H2,1-2H3,(H,13,17)(H,14,16)
InChIKeyXNEQDSILILELSK-UHFFFAOYSA-N
MW285.44 g/mol
LogP1.87
Rot. Bonds3

About N-(1-methylpiperidin-4-yl)-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)acetamide

N-(1-methylpiperidin-4-yl)-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)acetamide (PubChem CID 47293453) has the molecular formula C12H19N3OS2 and a molecular weight of 285.44 g/mol. Its IUPAC name is N-(1-methylpiperidin-4-yl)-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)acetamide.

Molecular Properties

Compound NameN-(1-methylpiperidin-4-yl)-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)acetamide
PubChem CID47293453
Molecular FormulaC12H19N3OS2
Molecular Weight285.44 g/mol
Exact Mass285.10
IUPAC NameN-(1-methylpiperidin-4-yl)-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)acetamide
SMILESCc1[nH]c(=S)sc1CC(=O)NC1CCN(C)CC1
InChIInChI=1S/C12H19N3OS2/c1-8-10(18-12(17)13-8)7-11(16)14-9-3-5-15(2)6-4-9/h9H,3-7H2,1-2H3,(H,13,17)(H,14,16)
InChIKeyXNEQDSILILELSK-UHFFFAOYSA-N
XLogP1.87
TPSA48.13 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.44
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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 N-(1-methylpiperidin-4-yl)-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)acetamide?
The IUPAC name of N-(1-methylpiperidin-4-yl)-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)acetamide (CID 47293453) is N-(1-methylpiperidin-4-yl)-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)acetamide.
What is the SMILES notation for N-(1-methylpiperidin-4-yl)-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)acetamide?
The canonical SMILES for N-(1-methylpiperidin-4-yl)-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)acetamide is Cc1[nH]c(=S)sc1CC(=O)NC1CCN(C)CC1.
What is the InChIKey of N-(1-methylpiperidin-4-yl)-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)acetamide?
The InChIKey is XNEQDSILILELSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3OS2/c1-8-10(18-12(17)13-8)7-11(16)14-9-3-5-15(2)6-4-9/h9H,3-7H2,1-2H3,(H,13,17)(H,14,16).
What are the key properties of N-(1-methylpiperidin-4-yl)-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)acetamide?
N-(1-methylpiperidin-4-yl)-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)acetamide has a molecular weight of 285.44 g/mol, XLogP of 1.87, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methylpiperidin-4-yl)-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)acetamide is sourced from PubChem (CID 47293453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).