N-[1-(hydroxymethyl)cyclobutyl]-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)acetamide

C11H16N2O2S2 — CID 103881177

IUPACN-[1-(hydroxymethyl)cyclobutyl]-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)acetamide
SMILESCc1[nH]c(=S)sc1CC(=O)NC1(CO)CCC1
InChIInChI=1S/C11H16N2O2S2/c1-7-8(17-10(16)12-7)5-9(15)13-11(6-14)3-2-4-11/h14H,2-6H2,1H3,(H,12,16)(H,13,15)
InChIKeyRWMPKQYVNCYUQT-UHFFFAOYSA-N
MW272.39 g/mol
LogP1.69
Rot. Bonds4

About N-[1-(hydroxymethyl)cyclobutyl]-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)acetamide

N-[1-(hydroxymethyl)cyclobutyl]-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)acetamide (PubChem CID 103881177) has the molecular formula C11H16N2O2S2 and a molecular weight of 272.39 g/mol. Its IUPAC name is N-[1-(hydroxymethyl)cyclobutyl]-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)acetamide.

Molecular Properties

Compound NameN-[1-(hydroxymethyl)cyclobutyl]-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)acetamide
PubChem CID103881177
Molecular FormulaC11H16N2O2S2
Molecular Weight272.39 g/mol
Exact Mass272.07
IUPAC NameN-[1-(hydroxymethyl)cyclobutyl]-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)acetamide
SMILESCc1[nH]c(=S)sc1CC(=O)NC1(CO)CCC1
InChIInChI=1S/C11H16N2O2S2/c1-7-8(17-10(16)12-7)5-9(15)13-11(6-14)3-2-4-11/h14H,2-6H2,1H3,(H,12,16)(H,13,15)
InChIKeyRWMPKQYVNCYUQT-UHFFFAOYSA-N
XLogP1.69
TPSA65.12 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 51.69
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-(hydroxymethyl)cyclobutyl]-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)acetamide?
The IUPAC name of N-[1-(hydroxymethyl)cyclobutyl]-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)acetamide (CID 103881177) is N-[1-(hydroxymethyl)cyclobutyl]-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)acetamide.
What is the SMILES notation for N-[1-(hydroxymethyl)cyclobutyl]-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)acetamide?
The canonical SMILES for N-[1-(hydroxymethyl)cyclobutyl]-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)acetamide is Cc1[nH]c(=S)sc1CC(=O)NC1(CO)CCC1.
What is the InChIKey of N-[1-(hydroxymethyl)cyclobutyl]-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)acetamide?
The InChIKey is RWMPKQYVNCYUQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2S2/c1-7-8(17-10(16)12-7)5-9(15)13-11(6-14)3-2-4-11/h14H,2-6H2,1H3,(H,12,16)(H,13,15).
What are the key properties of N-[1-(hydroxymethyl)cyclobutyl]-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)acetamide?
N-[1-(hydroxymethyl)cyclobutyl]-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)acetamide has a molecular weight of 272.39 g/mol, XLogP of 1.69, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(hydroxymethyl)cyclobutyl]-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)acetamide is sourced from PubChem (CID 103881177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).