N-[2,2-dimethyl-3-[[2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)acetyl]amino]propyl]-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)acetamide

C17H24N4O2S4 — CID 166202086

IUPACN-[2,2-dimethyl-3-[[2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)acetyl]amino]propyl]-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)acetamide
SMILESCc1[nH]c(=S)sc1CC(=O)NCC(C)(C)CNC(=O)Cc1sc(=S)[nH]c1C
InChIInChI=1S/C17H24N4O2S4/c1-9-11(26-15(24)20-9)5-13(22)18-7-17(3,4)8-19-14(23)6-12-10(2)21-16(25)27-12/h5-8H2,1-4H3,(H,18,22)(H,19,23)(H,20,24)(H,21,25)
InChIKeyUEDGHTGOBZJNSH-UHFFFAOYSA-N
MW444.67 g/mol
LogP3.59
Rot. Bonds8

About N-[2,2-dimethyl-3-[[2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)acetyl]amino]propyl]-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)acetamide

N-[2,2-dimethyl-3-[[2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)acetyl]amino]propyl]-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)acetamide (PubChem CID 166202086) has the molecular formula C17H24N4O2S4 and a molecular weight of 444.67 g/mol. Its IUPAC name is N-[2,2-dimethyl-3-[[2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)acetyl]amino]propyl]-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)acetamide.

Molecular Properties

Compound NameN-[2,2-dimethyl-3-[[2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)acetyl]amino]propyl]-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)acetamide
PubChem CID166202086
Molecular FormulaC17H24N4O2S4
Molecular Weight444.67 g/mol
Exact Mass444.08
IUPAC NameN-[2,2-dimethyl-3-[[2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)acetyl]amino]propyl]-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)acetamide
SMILESCc1[nH]c(=S)sc1CC(=O)NCC(C)(C)CNC(=O)Cc1sc(=S)[nH]c1C
InChIInChI=1S/C17H24N4O2S4/c1-9-11(26-15(24)20-9)5-13(22)18-7-17(3,4)8-19-14(23)6-12-10(2)21-16(25)27-12/h5-8H2,1-4H3,(H,18,22)(H,19,23)(H,20,24)(H,21,25)
InChIKeyUEDGHTGOBZJNSH-UHFFFAOYSA-N
XLogP3.59
TPSA89.78 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.67
LogP ≤ 53.59
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze N-[2,2-dimethyl-3-[[2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)acetyl]amino]propyl]-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)acetamide with MolForge

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Related Compounds

N-tert-butyl-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)acetamide
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CID 103606129
N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)acetamide
CID 107854822
N-cyclopentyl-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)acetamide
CID 47125331
N-[(1-methoxycyclobutyl)methyl]-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)acetamide
CID 113364785
2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)-N-[(5-methyl-1,3-thiazol-2-yl)methyl]acetamide
CID 113241736
2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)-N-pentan-2-ylacetamide
CID 47128892
N-(4-hydroxybutan-2-yl)-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)acetamide
CID 103825432
N-cyclopent-3-en-1-yl-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)acetamide
CID 103762330
N-(5-hydroxy-4-methylpentyl)-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)acetamide
CID 113340842
N-[2-[ethyl(propyl)amino]ethyl]-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)acetamide
CID 103719302
N-[2-(2-hydroxyethyl)pentyl]-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)acetamide
CID 103725485

Frequently Asked Questions

What is the IUPAC name of N-[2,2-dimethyl-3-[[2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)acetyl]amino]propyl]-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)acetamide?
The IUPAC name of N-[2,2-dimethyl-3-[[2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)acetyl]amino]propyl]-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)acetamide (CID 166202086) is N-[2,2-dimethyl-3-[[2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)acetyl]amino]propyl]-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)acetamide.
What is the SMILES notation for N-[2,2-dimethyl-3-[[2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)acetyl]amino]propyl]-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)acetamide?
The canonical SMILES for N-[2,2-dimethyl-3-[[2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)acetyl]amino]propyl]-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)acetamide is Cc1[nH]c(=S)sc1CC(=O)NCC(C)(C)CNC(=O)Cc1sc(=S)[nH]c1C.
What is the InChIKey of N-[2,2-dimethyl-3-[[2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)acetyl]amino]propyl]-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)acetamide?
The InChIKey is UEDGHTGOBZJNSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O2S4/c1-9-11(26-15(24)20-9)5-13(22)18-7-17(3,4)8-19-14(23)6-12-10(2)21-16(25)27-12/h5-8H2,1-4H3,(H,18,22)(H,19,23)(H,20,24)(H,21,25).
What are the key properties of N-[2,2-dimethyl-3-[[2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)acetyl]amino]propyl]-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)acetamide?
N-[2,2-dimethyl-3-[[2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)acetyl]amino]propyl]-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)acetamide has a molecular weight of 444.67 g/mol, XLogP of 3.59, 8 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2,2-dimethyl-3-[[2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)acetyl]amino]propyl]-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)acetamide is sourced from PubChem (CID 166202086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).