4-acetyl-N-ethyl-N'-[2-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]ethyl]piperazine-1-carboximidamide

C19H27N5OS2 — CID 110963811

IUPAC4-acetyl-N-ethyl-N'-[2-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]ethyl]piperazine-1-carboximidamide
SMILESCCN/C(=N\CCc1ccc(-c2csc(C)n2)s1)N1CCN(C(C)=O)CC1
InChIInChI=1S/C19H27N5OS2/c1-4-20-19(24-11-9-23(10-12-24)15(3)25)21-8-7-16-5-6-18(27-16)17-13-26-14(2)22-17/h5-6,13H,4,7-12H2,1-3H3,(H,20,21)
InChIKeyCGWZGJGHQAETEX-UHFFFAOYSA-N
MW405.59 g/mol
LogP2.85
Rot. Bonds5

About 4-acetyl-N-ethyl-N'-[2-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]ethyl]piperazine-1-carboximidamide

4-acetyl-N-ethyl-N'-[2-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]ethyl]piperazine-1-carboximidamide (PubChem CID 110963811) has the molecular formula C19H27N5OS2 and a molecular weight of 405.59 g/mol. Its IUPAC name is 4-acetyl-N-ethyl-N'-[2-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]ethyl]piperazine-1-carboximidamide.

Molecular Properties

Compound Name4-acetyl-N-ethyl-N'-[2-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]ethyl]piperazine-1-carboximidamide
PubChem CID110963811
Molecular FormulaC19H27N5OS2
Molecular Weight405.59 g/mol
Exact Mass405.17
IUPAC Name4-acetyl-N-ethyl-N'-[2-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]ethyl]piperazine-1-carboximidamide
SMILESCCN/C(=N\CCc1ccc(-c2csc(C)n2)s1)N1CCN(C(C)=O)CC1
InChIInChI=1S/C19H27N5OS2/c1-4-20-19(24-11-9-23(10-12-24)15(3)25)21-8-7-16-5-6-18(27-16)17-13-26-14(2)22-17/h5-6,13H,4,7-12H2,1-3H3,(H,20,21)
InChIKeyCGWZGJGHQAETEX-UHFFFAOYSA-N
XLogP2.85
TPSA60.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.59
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

4-acetyl-N'-[2-(5-chlorothiophen-2-yl)ethyl]-N-ethylpiperazine-1-carboximidamide
CID 110962873
4-acetyl-N'-[2-[5-(diethylsulfamoyl)thiophen-2-yl]ethyl]-N-ethylpiperazine-1-carboximidamide
CID 110963755
4-acetyl-N-ethyl-N'-[2-(2-ethyl-1,3-thiazol-4-yl)ethyl]piperazine-1-carboximidamide
CID 110963059
4-acetyl-N-ethyl-N'-[2-(5-ethyl-1,3-thiazol-2-yl)ethyl]piperazine-1-carboximidamide
CID 111493554
N-ethyl-N'-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-4-(oxolane-2-carbonyl)piperazine-1-carboximidamide;hydroiodide
CID 111301024
1-cyclopentyl-2-[2-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]ethyl]guanidine
CID 119117780
3-amino-N-[2-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]ethyl]propanamide
CID 119275087
2-[2-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]ethyl]-1-phenylguanidine
CID 110924670
4-N,4-N-diethyl-1-N-[[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]methyl]piperazine-1,4-dicarboxamide
CID 166185088
4-acetyl-N-ethyl-N'-[(4-phenyl-1,3-thiazol-2-yl)methyl]piperazine-1-carboximidamide;hydroiodide
CID 110964038
3,5-dimethyl-N-[2-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]ethyl]benzamide
CID 27294304
3-(2,5-dioxopyrrolidin-1-yl)-N-[2-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]ethyl]propanamide
CID 18120397

Frequently Asked Questions

What is the IUPAC name of 4-acetyl-N-ethyl-N'-[2-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]ethyl]piperazine-1-carboximidamide?
The IUPAC name of 4-acetyl-N-ethyl-N'-[2-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]ethyl]piperazine-1-carboximidamide (CID 110963811) is 4-acetyl-N-ethyl-N'-[2-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]ethyl]piperazine-1-carboximidamide.
What is the SMILES notation for 4-acetyl-N-ethyl-N'-[2-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]ethyl]piperazine-1-carboximidamide?
The canonical SMILES for 4-acetyl-N-ethyl-N'-[2-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]ethyl]piperazine-1-carboximidamide is CCN/C(=N\CCc1ccc(-c2csc(C)n2)s1)N1CCN(C(C)=O)CC1.
What is the InChIKey of 4-acetyl-N-ethyl-N'-[2-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]ethyl]piperazine-1-carboximidamide?
The InChIKey is CGWZGJGHQAETEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N5OS2/c1-4-20-19(24-11-9-23(10-12-24)15(3)25)21-8-7-16-5-6-18(27-16)17-13-26-14(2)22-17/h5-6,13H,4,7-12H2,1-3H3,(H,20,21).
What are the key properties of 4-acetyl-N-ethyl-N'-[2-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]ethyl]piperazine-1-carboximidamide?
4-acetyl-N-ethyl-N'-[2-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]ethyl]piperazine-1-carboximidamide has a molecular weight of 405.59 g/mol, XLogP of 2.85, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetyl-N-ethyl-N'-[2-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]ethyl]piperazine-1-carboximidamide is sourced from PubChem (CID 110963811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).