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

C14H24N2O3S2 — CID 107033837

IUPACN,N-bis(2-ethoxyethyl)-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)acetamide
SMILESCCOCCN(CCOCC)C(=O)Cc1sc(=S)[nH]c1C
InChIInChI=1S/C14H24N2O3S2/c1-4-18-8-6-16(7-9-19-5-2)13(17)10-12-11(3)15-14(20)21-12/h4-10H2,1-3H3,(H,15,20)
InChIKeyYERHXXWVDSROSF-UHFFFAOYSA-N
MW332.49 g/mol
LogP2.56
Rot. Bonds10

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

N,N-bis(2-ethoxyethyl)-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)acetamide (PubChem CID 107033837) has the molecular formula C14H24N2O3S2 and a molecular weight of 332.49 g/mol. Its IUPAC name is N,N-bis(2-ethoxyethyl)-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)acetamide.

Molecular Properties

Compound NameN,N-bis(2-ethoxyethyl)-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)acetamide
PubChem CID107033837
Molecular FormulaC14H24N2O3S2
Molecular Weight332.49 g/mol
Exact Mass332.12
IUPAC NameN,N-bis(2-ethoxyethyl)-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)acetamide
SMILESCCOCCN(CCOCC)C(=O)Cc1sc(=S)[nH]c1C
InChIInChI=1S/C14H24N2O3S2/c1-4-18-8-6-16(7-9-19-5-2)13(17)10-12-11(3)15-14(20)21-12/h4-10H2,1-3H3,(H,15,20)
InChIKeyYERHXXWVDSROSF-UHFFFAOYSA-N
XLogP2.56
TPSA54.56 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.49
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)-N-prop-2-enyl-N-propylacetamide
CID 107033495
N-methyl-N-[(2R)-4-methylpentan-2-yl]-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)acetamide
CID 94071011
N-(cyclopropylmethyl)-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)-N-propan-2-ylacetamide
CID 103622720
N-(2-methylbutan-2-yl)-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)acetamide
CID 103606129
1,1,3,3-tetrakis(2-ethoxyethyl)urea
CID 54341985
N-[2-[ethyl(propyl)amino]ethyl]-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)acetamide
CID 103719302
N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methyl-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)acetamide
CID 103720333
(3,5-dimethylcyclohexyl) 2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)acetate
CID 107018900
2-[4-(chloromethyl)-1,3-thiazol-2-yl]-N,N-bis(2-ethoxyethyl)acetamide
CID 82937845
5-amino-N-(2-ethoxyethyl)-N-ethyl-1,3,4-thiadiazole-2-carboxamide
CID 80616752
N,N-bis(2-ethoxyethyl)-5-(methylamino)-1,3,4-thiadiazole-2-carboxamide
CID 82959675
N,N-bis(2-ethoxyethyl)-2,2-dimethylpropanamide
CID 82952265

Frequently Asked Questions

What is the IUPAC name of N,N-bis(2-ethoxyethyl)-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)acetamide?
The IUPAC name of N,N-bis(2-ethoxyethyl)-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)acetamide (CID 107033837) is N,N-bis(2-ethoxyethyl)-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)acetamide.
What is the SMILES notation for N,N-bis(2-ethoxyethyl)-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)acetamide?
The canonical SMILES for N,N-bis(2-ethoxyethyl)-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)acetamide is CCOCCN(CCOCC)C(=O)Cc1sc(=S)[nH]c1C.
What is the InChIKey of N,N-bis(2-ethoxyethyl)-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)acetamide?
The InChIKey is YERHXXWVDSROSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O3S2/c1-4-18-8-6-16(7-9-19-5-2)13(17)10-12-11(3)15-14(20)21-12/h4-10H2,1-3H3,(H,15,20).
What are the key properties of N,N-bis(2-ethoxyethyl)-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)acetamide?
N,N-bis(2-ethoxyethyl)-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)acetamide has a molecular weight of 332.49 g/mol, XLogP of 2.56, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(2-ethoxyethyl)-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)acetamide is sourced from PubChem (CID 107033837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).