N-[5-[(4-ethylphenyl)methyl]-1,3-thiazol-2-yl]-2-morpholin-4-yl-2-sulfanylideneacetamide

C18H21N3O2S2 — CID 162395574

IUPACN-[5-[(4-ethylphenyl)methyl]-1,3-thiazol-2-yl]-2-morpholin-4-yl-2-sulfanylideneacetamide
SMILESCCc1ccc(Cc2cnc(NC(=O)C(=S)N3CCOCC3)s2)cc1
InChIInChI=1S/C18H21N3O2S2/c1-2-13-3-5-14(6-4-13)11-15-12-19-18(25-15)20-16(22)17(24)21-7-9-23-10-8-21/h3-6,12H,2,7-11H2,1H3,(H,19,20,22)
InChIKeyJSOUMLFQUPCYTI-UHFFFAOYSA-N
MW375.52 g/mol
LogP2.89
Rot. Bonds4

About N-[5-[(4-ethylphenyl)methyl]-1,3-thiazol-2-yl]-2-morpholin-4-yl-2-sulfanylideneacetamide

N-[5-[(4-ethylphenyl)methyl]-1,3-thiazol-2-yl]-2-morpholin-4-yl-2-sulfanylideneacetamide (PubChem CID 162395574) has the molecular formula C18H21N3O2S2 and a molecular weight of 375.52 g/mol. Its IUPAC name is N-[5-[(4-ethylphenyl)methyl]-1,3-thiazol-2-yl]-2-morpholin-4-yl-2-sulfanylideneacetamide.

Molecular Properties

Compound NameN-[5-[(4-ethylphenyl)methyl]-1,3-thiazol-2-yl]-2-morpholin-4-yl-2-sulfanylideneacetamide
PubChem CID162395574
Molecular FormulaC18H21N3O2S2
Molecular Weight375.52 g/mol
Exact Mass375.11
IUPAC NameN-[5-[(4-ethylphenyl)methyl]-1,3-thiazol-2-yl]-2-morpholin-4-yl-2-sulfanylideneacetamide
SMILESCCc1ccc(Cc2cnc(NC(=O)C(=S)N3CCOCC3)s2)cc1
InChIInChI=1S/C18H21N3O2S2/c1-2-13-3-5-14(6-4-13)11-15-12-19-18(25-15)20-16(22)17(24)21-7-9-23-10-8-21/h3-6,12H,2,7-11H2,1H3,(H,19,20,22)
InChIKeyJSOUMLFQUPCYTI-UHFFFAOYSA-N
XLogP2.89
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.52
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-ethyl-N-[5-[(4-ethylphenyl)methyl]-1,3-thiazol-2-yl]benzamide
CID 18876296
N-[5-[(3-fluoro-4-methylphenyl)methyl]-1,3-thiazol-2-yl]morpholine-4-carboxamide
CID 56812814
N-[5-[(4-ethylphenyl)methyl]-1,3-thiazol-2-yl]-4-(tetrazol-1-yl)benzamide
CID 7465223
N-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-2-[(2R)-2-methyl-2-(morpholine-4-carbonyl)morpholin-4-yl]acetamide
CID 124984231
(2Z)-2-(2,4-dioxo-1,3-thiazolidin-5-ylidene)-N-[5-[(4-ethylphenyl)methyl]-1,3-thiazol-2-yl]acetamide
CID 7221094
N-(5-benzyl-1,3-thiazol-2-yl)-3-methylpiperidine-1-carboxamide
CID 126770563
N-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-2-(morpholin-4-ylmethyl)benzamide
CID 46971835
N-[5-[(4-ethylphenyl)methyl]-1,3-thiazol-2-yl]-1-oxo-3,4-dihydroisochromene-3-carboxamide
CID 4908814
1-acetyl-N-(5-benzyl-1,3-thiazol-2-yl)piperidine-4-carboxamide
CID 18130138
N-(2,6-difluorophenyl)-2-morpholin-4-yl-2-sulfanylideneacetamide
CID 59738066
N-[5-[(4-ethylphenyl)methyl]-1,3-thiazol-2-yl]-4-hexoxybenzamide
CID 4591087
N-[5-[[4-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]oxane-4-carboxamide
CID 30684704

Frequently Asked Questions

What is the IUPAC name of N-[5-[(4-ethylphenyl)methyl]-1,3-thiazol-2-yl]-2-morpholin-4-yl-2-sulfanylideneacetamide?
The IUPAC name of N-[5-[(4-ethylphenyl)methyl]-1,3-thiazol-2-yl]-2-morpholin-4-yl-2-sulfanylideneacetamide (CID 162395574) is N-[5-[(4-ethylphenyl)methyl]-1,3-thiazol-2-yl]-2-morpholin-4-yl-2-sulfanylideneacetamide.
What is the SMILES notation for N-[5-[(4-ethylphenyl)methyl]-1,3-thiazol-2-yl]-2-morpholin-4-yl-2-sulfanylideneacetamide?
The canonical SMILES for N-[5-[(4-ethylphenyl)methyl]-1,3-thiazol-2-yl]-2-morpholin-4-yl-2-sulfanylideneacetamide is CCc1ccc(Cc2cnc(NC(=O)C(=S)N3CCOCC3)s2)cc1.
What is the InChIKey of N-[5-[(4-ethylphenyl)methyl]-1,3-thiazol-2-yl]-2-morpholin-4-yl-2-sulfanylideneacetamide?
The InChIKey is JSOUMLFQUPCYTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O2S2/c1-2-13-3-5-14(6-4-13)11-15-12-19-18(25-15)20-16(22)17(24)21-7-9-23-10-8-21/h3-6,12H,2,7-11H2,1H3,(H,19,20,22).
What are the key properties of N-[5-[(4-ethylphenyl)methyl]-1,3-thiazol-2-yl]-2-morpholin-4-yl-2-sulfanylideneacetamide?
N-[5-[(4-ethylphenyl)methyl]-1,3-thiazol-2-yl]-2-morpholin-4-yl-2-sulfanylideneacetamide has a molecular weight of 375.52 g/mol, XLogP of 2.89, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(4-ethylphenyl)methyl]-1,3-thiazol-2-yl]-2-morpholin-4-yl-2-sulfanylideneacetamide is sourced from PubChem (CID 162395574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).