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

C9H14N2O3S2 — CID 104580712

IUPACN-(1,3-dihydroxypropan-2-yl)-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)acetamide
SMILESCc1[nH]c(=S)sc1CC(=O)NC(CO)CO
InChIInChI=1S/C9H14N2O3S2/c1-5-7(16-9(15)10-5)2-8(14)11-6(3-12)4-13/h6,12-13H,2-4H2,1H3,(H,10,15)(H,11,14)
InChIKeyQVMZUSOJROMNJI-UHFFFAOYSA-N
MW262.36 g/mol
LogP0.13
Rot. Bonds5

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

N-(1,3-dihydroxypropan-2-yl)-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)acetamide (PubChem CID 104580712) has the molecular formula C9H14N2O3S2 and a molecular weight of 262.36 g/mol. Its IUPAC name is N-(1,3-dihydroxypropan-2-yl)-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)acetamide.

Molecular Properties

Compound NameN-(1,3-dihydroxypropan-2-yl)-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)acetamide
PubChem CID104580712
Molecular FormulaC9H14N2O3S2
Molecular Weight262.36 g/mol
Exact Mass262.04
IUPAC NameN-(1,3-dihydroxypropan-2-yl)-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)acetamide
SMILESCc1[nH]c(=S)sc1CC(=O)NC(CO)CO
InChIInChI=1S/C9H14N2O3S2/c1-5-7(16-9(15)10-5)2-8(14)11-6(3-12)4-13/h6,12-13H,2-4H2,1H3,(H,10,15)(H,11,14)
InChIKeyQVMZUSOJROMNJI-UHFFFAOYSA-N
XLogP0.13
TPSA85.35 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.36
LogP ≤ 50.13
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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-(1,3-dihydroxypropan-2-yl)-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)acetamide?
The IUPAC name of N-(1,3-dihydroxypropan-2-yl)-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)acetamide (CID 104580712) is N-(1,3-dihydroxypropan-2-yl)-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)acetamide.
What is the SMILES notation for N-(1,3-dihydroxypropan-2-yl)-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)acetamide?
The canonical SMILES for N-(1,3-dihydroxypropan-2-yl)-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)acetamide is Cc1[nH]c(=S)sc1CC(=O)NC(CO)CO.
What is the InChIKey of N-(1,3-dihydroxypropan-2-yl)-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)acetamide?
The InChIKey is QVMZUSOJROMNJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O3S2/c1-5-7(16-9(15)10-5)2-8(14)11-6(3-12)4-13/h6,12-13H,2-4H2,1H3,(H,10,15)(H,11,14).
What are the key properties of N-(1,3-dihydroxypropan-2-yl)-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)acetamide?
N-(1,3-dihydroxypropan-2-yl)-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)acetamide has a molecular weight of 262.36 g/mol, XLogP of 0.13, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-dihydroxypropan-2-yl)-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)acetamide is sourced from PubChem (CID 104580712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).