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

C10H16N2O3S2 — CID 114078890

IUPACN-(1-hydroxy-3-methoxypropan-2-yl)-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)acetamide
SMILESCOCC(CO)NC(=O)Cc1sc(=S)[nH]c1C
InChIInChI=1S/C10H16N2O3S2/c1-6-8(17-10(16)11-6)3-9(14)12-7(4-13)5-15-2/h7,13H,3-5H2,1-2H3,(H,11,16)(H,12,14)
InChIKeyRVQHYSDMRPVELI-UHFFFAOYSA-N
MW276.38 g/mol
LogP0.78
Rot. Bonds6

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

N-(1-hydroxy-3-methoxypropan-2-yl)-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)acetamide (PubChem CID 114078890) has the molecular formula C10H16N2O3S2 and a molecular weight of 276.38 g/mol. Its IUPAC name is N-(1-hydroxy-3-methoxypropan-2-yl)-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)acetamide.

Molecular Properties

Compound NameN-(1-hydroxy-3-methoxypropan-2-yl)-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)acetamide
PubChem CID114078890
Molecular FormulaC10H16N2O3S2
Molecular Weight276.38 g/mol
Exact Mass276.06
IUPAC NameN-(1-hydroxy-3-methoxypropan-2-yl)-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)acetamide
SMILESCOCC(CO)NC(=O)Cc1sc(=S)[nH]c1C
InChIInChI=1S/C10H16N2O3S2/c1-6-8(17-10(16)11-6)3-9(14)12-7(4-13)5-15-2/h7,13H,3-5H2,1-2H3,(H,11,16)(H,12,14)
InChIKeyRVQHYSDMRPVELI-UHFFFAOYSA-N
XLogP0.78
TPSA74.35 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 50.78
H-Bond Donors ≤ 53
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-hydroxy-3-methoxypropan-2-yl)-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)acetamide?
The IUPAC name of N-(1-hydroxy-3-methoxypropan-2-yl)-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)acetamide (CID 114078890) is N-(1-hydroxy-3-methoxypropan-2-yl)-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)acetamide.
What is the SMILES notation for N-(1-hydroxy-3-methoxypropan-2-yl)-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)acetamide?
The canonical SMILES for N-(1-hydroxy-3-methoxypropan-2-yl)-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)acetamide is COCC(CO)NC(=O)Cc1sc(=S)[nH]c1C.
What is the InChIKey of N-(1-hydroxy-3-methoxypropan-2-yl)-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)acetamide?
The InChIKey is RVQHYSDMRPVELI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O3S2/c1-6-8(17-10(16)11-6)3-9(14)12-7(4-13)5-15-2/h7,13H,3-5H2,1-2H3,(H,11,16)(H,12,14).
What are the key properties of N-(1-hydroxy-3-methoxypropan-2-yl)-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)acetamide?
N-(1-hydroxy-3-methoxypropan-2-yl)-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)acetamide has a molecular weight of 276.38 g/mol, XLogP of 0.78, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-hydroxy-3-methoxypropan-2-yl)-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)acetamide is sourced from PubChem (CID 114078890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).