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

C12H20N2OS2 — CID 47163542

IUPACN-methyl-N-(3-methylbutyl)-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)acetamide
SMILESCc1[nH]c(=S)sc1CC(=O)N(C)CCC(C)C
InChIInChI=1S/C12H20N2OS2/c1-8(2)5-6-14(4)11(15)7-10-9(3)13-12(16)17-10/h8H,5-7H2,1-4H3,(H,13,16)
InChIKeyAUSLMQKRWZXOIT-UHFFFAOYSA-N
MW272.44 g/mol
LogP3.16
Rot. Bonds5

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

N-methyl-N-(3-methylbutyl)-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)acetamide (PubChem CID 47163542) has the molecular formula C12H20N2OS2 and a molecular weight of 272.44 g/mol. Its IUPAC name is N-methyl-N-(3-methylbutyl)-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)acetamide.

Molecular Properties

Compound NameN-methyl-N-(3-methylbutyl)-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)acetamide
PubChem CID47163542
Molecular FormulaC12H20N2OS2
Molecular Weight272.44 g/mol
Exact Mass272.10
IUPAC NameN-methyl-N-(3-methylbutyl)-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)acetamide
SMILESCc1[nH]c(=S)sc1CC(=O)N(C)CCC(C)C
InChIInChI=1S/C12H20N2OS2/c1-8(2)5-6-14(4)11(15)7-10-9(3)13-12(16)17-10/h8H,5-7H2,1-4H3,(H,13,16)
InChIKeyAUSLMQKRWZXOIT-UHFFFAOYSA-N
XLogP3.16
TPSA36.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.44
LogP ≤ 53.16
H-Bond Donors ≤ 51
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-methyl-N-(3-methylbutyl)-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)acetamide?
The IUPAC name of N-methyl-N-(3-methylbutyl)-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)acetamide (CID 47163542) is N-methyl-N-(3-methylbutyl)-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)acetamide.
What is the SMILES notation for N-methyl-N-(3-methylbutyl)-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)acetamide?
The canonical SMILES for N-methyl-N-(3-methylbutyl)-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)acetamide is Cc1[nH]c(=S)sc1CC(=O)N(C)CCC(C)C.
What is the InChIKey of N-methyl-N-(3-methylbutyl)-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)acetamide?
The InChIKey is AUSLMQKRWZXOIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2OS2/c1-8(2)5-6-14(4)11(15)7-10-9(3)13-12(16)17-10/h8H,5-7H2,1-4H3,(H,13,16).
What are the key properties of N-methyl-N-(3-methylbutyl)-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)acetamide?
N-methyl-N-(3-methylbutyl)-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)acetamide has a molecular weight of 272.44 g/mol, XLogP of 3.16, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(3-methylbutyl)-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)acetamide is sourced from PubChem (CID 47163542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).