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

C11H18N2OS2 — CID 47125328

IUPACN-(3-methylbutyl)-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)acetamide
SMILESCc1[nH]c(=S)sc1CC(=O)NCCC(C)C
InChIInChI=1S/C11H18N2OS2/c1-7(2)4-5-12-10(14)6-9-8(3)13-11(15)16-9/h7H,4-6H2,1-3H3,(H,12,14)(H,13,15)
InChIKeyFKIJPOLDWKWWSR-UHFFFAOYSA-N
MW258.41 g/mol
LogP2.82
Rot. Bonds5

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

N-(3-methylbutyl)-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)acetamide (PubChem CID 47125328) has the molecular formula C11H18N2OS2 and a molecular weight of 258.41 g/mol. Its IUPAC name is N-(3-methylbutyl)-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)acetamide.

Molecular Properties

Compound NameN-(3-methylbutyl)-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)acetamide
PubChem CID47125328
Molecular FormulaC11H18N2OS2
Molecular Weight258.41 g/mol
Exact Mass258.09
IUPAC NameN-(3-methylbutyl)-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)acetamide
SMILESCc1[nH]c(=S)sc1CC(=O)NCCC(C)C
InChIInChI=1S/C11H18N2OS2/c1-7(2)4-5-12-10(14)6-9-8(3)13-11(15)16-9/h7H,4-6H2,1-3H3,(H,12,14)(H,13,15)
InChIKeyFKIJPOLDWKWWSR-UHFFFAOYSA-N
XLogP2.82
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.41
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-(3-methylbutyl)-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)acetamide?
The IUPAC name of N-(3-methylbutyl)-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)acetamide (CID 47125328) is N-(3-methylbutyl)-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)acetamide.
What is the SMILES notation for N-(3-methylbutyl)-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)acetamide?
The canonical SMILES for N-(3-methylbutyl)-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)acetamide is Cc1[nH]c(=S)sc1CC(=O)NCCC(C)C.
What is the InChIKey of N-(3-methylbutyl)-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)acetamide?
The InChIKey is FKIJPOLDWKWWSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2OS2/c1-7(2)4-5-12-10(14)6-9-8(3)13-11(15)16-9/h7H,4-6H2,1-3H3,(H,12,14)(H,13,15).
What are the key properties of N-(3-methylbutyl)-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)acetamide?
N-(3-methylbutyl)-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)acetamide has a molecular weight of 258.41 g/mol, XLogP of 2.82, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylbutyl)-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)acetamide is sourced from PubChem (CID 47125328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).