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

C9H14N2O2S2 — CID 103612934

IUPACN-(1-hydroxypropan-2-yl)-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)acetamide
SMILESCc1[nH]c(=S)sc1CC(=O)NC(C)CO
InChIInChI=1S/C9H14N2O2S2/c1-5(4-12)10-8(13)3-7-6(2)11-9(14)15-7/h5,12H,3-4H2,1-2H3,(H,10,13)(H,11,14)
InChIKeyHAZUOVGAXBBXED-UHFFFAOYSA-N
MW246.36 g/mol
LogP1.15
Rot. Bonds4

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

N-(1-hydroxypropan-2-yl)-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)acetamide (PubChem CID 103612934) has the molecular formula C9H14N2O2S2 and a molecular weight of 246.36 g/mol. Its IUPAC name is N-(1-hydroxypropan-2-yl)-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)acetamide.

Molecular Properties

Compound NameN-(1-hydroxypropan-2-yl)-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)acetamide
PubChem CID103612934
Molecular FormulaC9H14N2O2S2
Molecular Weight246.36 g/mol
Exact Mass246.05
IUPAC NameN-(1-hydroxypropan-2-yl)-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)acetamide
SMILESCc1[nH]c(=S)sc1CC(=O)NC(C)CO
InChIInChI=1S/C9H14N2O2S2/c1-5(4-12)10-8(13)3-7-6(2)11-9(14)15-7/h5,12H,3-4H2,1-2H3,(H,10,13)(H,11,14)
InChIKeyHAZUOVGAXBBXED-UHFFFAOYSA-N
XLogP1.15
TPSA65.12 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.36
LogP ≤ 51.15
H-Bond Donors ≤ 53
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-hydroxypropan-2-yl)-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)acetamide?
The IUPAC name of N-(1-hydroxypropan-2-yl)-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)acetamide (CID 103612934) is N-(1-hydroxypropan-2-yl)-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)acetamide.
What is the SMILES notation for N-(1-hydroxypropan-2-yl)-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)acetamide?
The canonical SMILES for N-(1-hydroxypropan-2-yl)-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)acetamide is Cc1[nH]c(=S)sc1CC(=O)NC(C)CO.
What is the InChIKey of N-(1-hydroxypropan-2-yl)-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)acetamide?
The InChIKey is HAZUOVGAXBBXED-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O2S2/c1-5(4-12)10-8(13)3-7-6(2)11-9(14)15-7/h5,12H,3-4H2,1-2H3,(H,10,13)(H,11,14).
What are the key properties of N-(1-hydroxypropan-2-yl)-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)acetamide?
N-(1-hydroxypropan-2-yl)-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)acetamide has a molecular weight of 246.36 g/mol, XLogP of 1.15, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-hydroxypropan-2-yl)-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)acetamide is sourced from PubChem (CID 103612934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).