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

C12H18N2O2S2 — CID 113364785

IUPACN-[(1-methoxycyclobutyl)methyl]-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)acetamide
SMILESCOC1(CNC(=O)Cc2sc(=S)[nH]c2C)CCC1
InChIInChI=1S/C12H18N2O2S2/c1-8-9(18-11(17)14-8)6-10(15)13-7-12(16-2)4-3-5-12/h3-7H2,1-2H3,(H,13,15)(H,14,17)
InChIKeyGNKDZWRMDZAYGE-UHFFFAOYSA-N
MW286.42 g/mol
LogP2.34
Rot. Bonds5

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

N-[(1-methoxycyclobutyl)methyl]-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)acetamide (PubChem CID 113364785) has the molecular formula C12H18N2O2S2 and a molecular weight of 286.42 g/mol. Its IUPAC name is N-[(1-methoxycyclobutyl)methyl]-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)acetamide.

Molecular Properties

Compound NameN-[(1-methoxycyclobutyl)methyl]-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)acetamide
PubChem CID113364785
Molecular FormulaC12H18N2O2S2
Molecular Weight286.42 g/mol
Exact Mass286.08
IUPAC NameN-[(1-methoxycyclobutyl)methyl]-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)acetamide
SMILESCOC1(CNC(=O)Cc2sc(=S)[nH]c2C)CCC1
InChIInChI=1S/C12H18N2O2S2/c1-8-9(18-11(17)14-8)6-10(15)13-7-12(16-2)4-3-5-12/h3-7H2,1-2H3,(H,13,15)(H,14,17)
InChIKeyGNKDZWRMDZAYGE-UHFFFAOYSA-N
XLogP2.34
TPSA54.12 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 52.34
H-Bond Donors ≤ 52
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-methoxycyclobutyl)methyl]-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)acetamide?
The IUPAC name of N-[(1-methoxycyclobutyl)methyl]-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)acetamide (CID 113364785) is N-[(1-methoxycyclobutyl)methyl]-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)acetamide.
What is the SMILES notation for N-[(1-methoxycyclobutyl)methyl]-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)acetamide?
The canonical SMILES for N-[(1-methoxycyclobutyl)methyl]-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)acetamide is COC1(CNC(=O)Cc2sc(=S)[nH]c2C)CCC1.
What is the InChIKey of N-[(1-methoxycyclobutyl)methyl]-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)acetamide?
The InChIKey is GNKDZWRMDZAYGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2S2/c1-8-9(18-11(17)14-8)6-10(15)13-7-12(16-2)4-3-5-12/h3-7H2,1-2H3,(H,13,15)(H,14,17).
What are the key properties of N-[(1-methoxycyclobutyl)methyl]-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)acetamide?
N-[(1-methoxycyclobutyl)methyl]-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)acetamide has a molecular weight of 286.42 g/mol, XLogP of 2.34, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methoxycyclobutyl)methyl]-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)acetamide is sourced from PubChem (CID 113364785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).