N-[1-(5-chlorothiophen-2-yl)ethylideneamino]-2-imidazo[2,1-b][1,3]thiazol-6-ylacetamide

C13H11ClN4OS2 — CID 4989244

IUPACN-[1-(5-chlorothiophen-2-yl)ethylideneamino]-2-imidazo[2,1-b][1,3]thiazol-6-ylacetamide
SMILESCC(=NNC(=O)Cc1cn2ccsc2n1)c1ccc(Cl)s1
InChIInChI=1S/C13H11ClN4OS2/c1-8(10-2-3-11(14)21-10)16-17-12(19)6-9-7-18-4-5-20-13(18)15-9/h2-5,7H,6H2,1H3,(H,17,19)
InChIKeyMHAMMCIKIQYTAZ-UHFFFAOYSA-N
MW338.85 g/mol
LogP3.19
Rot. Bonds4

About N-[1-(5-chlorothiophen-2-yl)ethylideneamino]-2-imidazo[2,1-b][1,3]thiazol-6-ylacetamide

N-[1-(5-chlorothiophen-2-yl)ethylideneamino]-2-imidazo[2,1-b][1,3]thiazol-6-ylacetamide (PubChem CID 4989244) has the molecular formula C13H11ClN4OS2 and a molecular weight of 338.85 g/mol. Its IUPAC name is N-[1-(5-chlorothiophen-2-yl)ethylideneamino]-2-imidazo[2,1-b][1,3]thiazol-6-ylacetamide.

Molecular Properties

Compound NameN-[1-(5-chlorothiophen-2-yl)ethylideneamino]-2-imidazo[2,1-b][1,3]thiazol-6-ylacetamide
PubChem CID4989244
Molecular FormulaC13H11ClN4OS2
Molecular Weight338.85 g/mol
Exact Mass338.01
IUPAC NameN-[1-(5-chlorothiophen-2-yl)ethylideneamino]-2-imidazo[2,1-b][1,3]thiazol-6-ylacetamide
SMILESCC(=NNC(=O)Cc1cn2ccsc2n1)c1ccc(Cl)s1
InChIInChI=1S/C13H11ClN4OS2/c1-8(10-2-3-11(14)21-10)16-17-12(19)6-9-7-18-4-5-20-13(18)15-9/h2-5,7H,6H2,1H3,(H,17,19)
InChIKeyMHAMMCIKIQYTAZ-UHFFFAOYSA-N
XLogP3.19
TPSA58.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.85
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-imidazo[2,1-b][1,3]thiazol-6-yl-N-(1-thiophen-2-ylethylideneamino)acetamide
CID 5143876
2-imidazo[2,1-b][1,3]thiazol-6-yl-N-[(Z)-1-phenylethylideneamino]acetamide
CID 6005008
N-[(E)-1-[3-(diethylaminomethyl)-4-hydroxyphenyl]ethylideneamino]-2-imidazo[2,1-b][1,3]thiazol-6-ylacetamide
CID 135588321
N-(4-chlorophenyl)-2-imidazo[2,1-b][1,3]thiazol-6-ylacetamide
CID 5057213
2-(4-chlorophenyl)-N'-(2-imidazo[2,1-b][1,3]thiazol-6-ylacetyl)acetohydrazide
CID 27683802
N-(2-ethylbutylideneamino)-2-imidazo[2,1-b][1,3]thiazol-6-ylacetamide
CID 3445626
N-[1-(5-chlorothiophen-2-yl)ethylideneamino]pentanamide
CID 4604859
N-[3,4-bis(4-chlorophenyl)butan-2-yl]-2-imidazo[2,1-b][1,3]thiazol-6-ylacetamide
CID 23404768
2-imidazo[2,1-b][1,3]thiazol-6-yl-N-phenylacetamide
CID 4623847
N-[(Z)-1-(5-chlorothiophen-2-yl)ethylideneamino]-2-(2-oxo-1-pyridinyl)acetamide
CID 8883245
[(Z)-1-(5-chlorothiophen-2-yl)ethylideneamino]urea
CID 5354251
N-[2-(4-chlorophenoxy)ethyl]-2-imidazo[2,1-b][1,3]thiazol-6-ylacetamide
CID 31336221

Frequently Asked Questions

What is the IUPAC name of N-[1-(5-chlorothiophen-2-yl)ethylideneamino]-2-imidazo[2,1-b][1,3]thiazol-6-ylacetamide?
The IUPAC name of N-[1-(5-chlorothiophen-2-yl)ethylideneamino]-2-imidazo[2,1-b][1,3]thiazol-6-ylacetamide (CID 4989244) is N-[1-(5-chlorothiophen-2-yl)ethylideneamino]-2-imidazo[2,1-b][1,3]thiazol-6-ylacetamide.
What is the SMILES notation for N-[1-(5-chlorothiophen-2-yl)ethylideneamino]-2-imidazo[2,1-b][1,3]thiazol-6-ylacetamide?
The canonical SMILES for N-[1-(5-chlorothiophen-2-yl)ethylideneamino]-2-imidazo[2,1-b][1,3]thiazol-6-ylacetamide is CC(=NNC(=O)Cc1cn2ccsc2n1)c1ccc(Cl)s1.
What is the InChIKey of N-[1-(5-chlorothiophen-2-yl)ethylideneamino]-2-imidazo[2,1-b][1,3]thiazol-6-ylacetamide?
The InChIKey is MHAMMCIKIQYTAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClN4OS2/c1-8(10-2-3-11(14)21-10)16-17-12(19)6-9-7-18-4-5-20-13(18)15-9/h2-5,7H,6H2,1H3,(H,17,19).
What are the key properties of N-[1-(5-chlorothiophen-2-yl)ethylideneamino]-2-imidazo[2,1-b][1,3]thiazol-6-ylacetamide?
N-[1-(5-chlorothiophen-2-yl)ethylideneamino]-2-imidazo[2,1-b][1,3]thiazol-6-ylacetamide has a molecular weight of 338.85 g/mol, XLogP of 3.19, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-chlorothiophen-2-yl)ethylideneamino]-2-imidazo[2,1-b][1,3]thiazol-6-ylacetamide is sourced from PubChem (CID 4989244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).