N-(2-hydroxyethyl)-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)-N-propan-2-ylacetamide

C11H18N2O2S2 — CID 107026278

IUPACN-(2-hydroxyethyl)-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)-N-propan-2-ylacetamide
SMILESCc1[nH]c(=S)sc1CC(=O)N(CCO)C(C)C
InChIInChI=1S/C11H18N2O2S2/c1-7(2)13(4-5-14)10(15)6-9-8(3)12-11(16)17-9/h7,14H,4-6H2,1-3H3,(H,12,16)
InChIKeyBMFDWXYXJZJBDZ-UHFFFAOYSA-N
MW274.41 g/mol
LogP1.89
Rot. Bonds5

About N-(2-hydroxyethyl)-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)-N-propan-2-ylacetamide

N-(2-hydroxyethyl)-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)-N-propan-2-ylacetamide (PubChem CID 107026278) has the molecular formula C11H18N2O2S2 and a molecular weight of 274.41 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)-N-propan-2-ylacetamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)-N-propan-2-ylacetamide
PubChem CID107026278
Molecular FormulaC11H18N2O2S2
Molecular Weight274.41 g/mol
Exact Mass274.08
IUPAC NameN-(2-hydroxyethyl)-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)-N-propan-2-ylacetamide
SMILESCc1[nH]c(=S)sc1CC(=O)N(CCO)C(C)C
InChIInChI=1S/C11H18N2O2S2/c1-7(2)13(4-5-14)10(15)6-9-8(3)12-11(16)17-9/h7,14H,4-6H2,1-3H3,(H,12,16)
InChIKeyBMFDWXYXJZJBDZ-UHFFFAOYSA-N
XLogP1.89
TPSA56.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 51.89
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-(2-hydroxyethyl)-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)-N-propan-2-ylacetamide?
The IUPAC name of N-(2-hydroxyethyl)-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)-N-propan-2-ylacetamide (CID 107026278) is N-(2-hydroxyethyl)-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)-N-propan-2-ylacetamide.
What is the SMILES notation for N-(2-hydroxyethyl)-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)-N-propan-2-ylacetamide?
The canonical SMILES for N-(2-hydroxyethyl)-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)-N-propan-2-ylacetamide is Cc1[nH]c(=S)sc1CC(=O)N(CCO)C(C)C.
What is the InChIKey of N-(2-hydroxyethyl)-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)-N-propan-2-ylacetamide?
The InChIKey is BMFDWXYXJZJBDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O2S2/c1-7(2)13(4-5-14)10(15)6-9-8(3)12-11(16)17-9/h7,14H,4-6H2,1-3H3,(H,12,16).
What are the key properties of N-(2-hydroxyethyl)-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)-N-propan-2-ylacetamide?
N-(2-hydroxyethyl)-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)-N-propan-2-ylacetamide has a molecular weight of 274.41 g/mol, XLogP of 1.89, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyethyl)-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)-N-propan-2-ylacetamide is sourced from PubChem (CID 107026278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).