N-(6,6-dimethyl-2-sulfanylidene-1,3-dihydro-1,3,5-triazin-4-yl)acetamide

C7H12N4OS — CID 21163555

IUPACN-(6,6-dimethyl-2-sulfanylidene-1,3-dihydro-1,3,5-triazin-4-yl)acetamide
SMILESCC(=O)NC1=NC(C)(C)NC(=S)N1
InChIInChI=1S/C7H12N4OS/c1-4(12)8-5-9-6(13)11-7(2,3)10-5/h1-3H3,(H3,8,9,10,11,12,13)
InChIKeyOKMONNKCVZNGSP-UHFFFAOYSA-N
MW200.27 g/mol
LogP-0.31
Rot. Bonds

About N-(6,6-dimethyl-2-sulfanylidene-1,3-dihydro-1,3,5-triazin-4-yl)acetamide

N-(6,6-dimethyl-2-sulfanylidene-1,3-dihydro-1,3,5-triazin-4-yl)acetamide (PubChem CID 21163555) has the molecular formula C7H12N4OS and a molecular weight of 200.27 g/mol. Its IUPAC name is N-(6,6-dimethyl-2-sulfanylidene-1,3-dihydro-1,3,5-triazin-4-yl)acetamide.

Molecular Properties

Compound NameN-(6,6-dimethyl-2-sulfanylidene-1,3-dihydro-1,3,5-triazin-4-yl)acetamide
PubChem CID21163555
Molecular FormulaC7H12N4OS
Molecular Weight200.27 g/mol
Exact Mass200.07
IUPAC NameN-(6,6-dimethyl-2-sulfanylidene-1,3-dihydro-1,3,5-triazin-4-yl)acetamide
SMILESCC(=O)NC1=NC(C)(C)NC(=S)N1
InChIInChI=1S/C7H12N4OS/c1-4(12)8-5-9-6(13)11-7(2,3)10-5/h1-3H3,(H3,8,9,10,11,12,13)
InChIKeyOKMONNKCVZNGSP-UHFFFAOYSA-N
XLogP-0.31
TPSA65.52 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.27
LogP ≤ 5-0.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[(Z)-N'-carbamothioylcarbamimidoyl]propanamide
CID 5978718
N-[4,6-bis(sulfanylidene)-1H-1,3,5-triazin-2-yl]acetamide
CID 21423087
N-(N'-carbamothioylcarbamimidoyl)acetamide
CID 173925419
N-(N'-carbamothioylcarbamimidoyl)propanamide
CID 3987555
N-[6-(acetylamino)-4-sulfanyl-1,3,5-triazin-2-yl]acetamide
CID 4081564
N-(6-sulfanylidene-1H-1,3,5-triazin-2-yl)acetamide
CID 71669906
N-[(E)-N'-carbamothioylcarbamimidoyl]propanamide
CID 131854352

Frequently Asked Questions

What is the IUPAC name of N-(6,6-dimethyl-2-sulfanylidene-1,3-dihydro-1,3,5-triazin-4-yl)acetamide?
The IUPAC name of N-(6,6-dimethyl-2-sulfanylidene-1,3-dihydro-1,3,5-triazin-4-yl)acetamide (CID 21163555) is N-(6,6-dimethyl-2-sulfanylidene-1,3-dihydro-1,3,5-triazin-4-yl)acetamide.
What is the SMILES notation for N-(6,6-dimethyl-2-sulfanylidene-1,3-dihydro-1,3,5-triazin-4-yl)acetamide?
The canonical SMILES for N-(6,6-dimethyl-2-sulfanylidene-1,3-dihydro-1,3,5-triazin-4-yl)acetamide is CC(=O)NC1=NC(C)(C)NC(=S)N1.
What is the InChIKey of N-(6,6-dimethyl-2-sulfanylidene-1,3-dihydro-1,3,5-triazin-4-yl)acetamide?
The InChIKey is OKMONNKCVZNGSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N4OS/c1-4(12)8-5-9-6(13)11-7(2,3)10-5/h1-3H3,(H3,8,9,10,11,12,13).
What are the key properties of N-(6,6-dimethyl-2-sulfanylidene-1,3-dihydro-1,3,5-triazin-4-yl)acetamide?
N-(6,6-dimethyl-2-sulfanylidene-1,3-dihydro-1,3,5-triazin-4-yl)acetamide has a molecular weight of 200.27 g/mol, XLogP of -0.31, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6,6-dimethyl-2-sulfanylidene-1,3-dihydro-1,3,5-triazin-4-yl)acetamide is sourced from PubChem (CID 21163555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).