N-[2-(4-chlorophenyl)sulfanylethyl]-2-imidazo[2,1-b][1,3]thiazol-6-ylacetamide

C15H14ClN3OS2 — CID 17423299

IUPACN-[2-(4-chlorophenyl)sulfanylethyl]-2-imidazo[2,1-b][1,3]thiazol-6-ylacetamide
SMILESO=C(Cc1cn2ccsc2n1)NCCSc1ccc(Cl)cc1
InChIInChI=1S/C15H14ClN3OS2/c16-11-1-3-13(4-2-11)21-7-5-17-14(20)9-12-10-19-6-8-22-15(19)18-12/h1-4,6,8,10H,5,7,9H2,(H,17,20)
InChIKeyNBVKMRMWUOKSFH-UHFFFAOYSA-N
MW351.88 g/mol
LogP3.50
Rot. Bonds6

About N-[2-(4-chlorophenyl)sulfanylethyl]-2-imidazo[2,1-b][1,3]thiazol-6-ylacetamide

N-[2-(4-chlorophenyl)sulfanylethyl]-2-imidazo[2,1-b][1,3]thiazol-6-ylacetamide (PubChem CID 17423299) has the molecular formula C15H14ClN3OS2 and a molecular weight of 351.88 g/mol. Its IUPAC name is N-[2-(4-chlorophenyl)sulfanylethyl]-2-imidazo[2,1-b][1,3]thiazol-6-ylacetamide.

Molecular Properties

Compound NameN-[2-(4-chlorophenyl)sulfanylethyl]-2-imidazo[2,1-b][1,3]thiazol-6-ylacetamide
PubChem CID17423299
Molecular FormulaC15H14ClN3OS2
Molecular Weight351.88 g/mol
Exact Mass351.03
IUPAC NameN-[2-(4-chlorophenyl)sulfanylethyl]-2-imidazo[2,1-b][1,3]thiazol-6-ylacetamide
SMILESO=C(Cc1cn2ccsc2n1)NCCSc1ccc(Cl)cc1
InChIInChI=1S/C15H14ClN3OS2/c16-11-1-3-13(4-2-11)21-7-5-17-14(20)9-12-10-19-6-8-22-15(19)18-12/h1-4,6,8,10H,5,7,9H2,(H,17,20)
InChIKeyNBVKMRMWUOKSFH-UHFFFAOYSA-N
XLogP3.50
TPSA46.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.88
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(4-chlorophenoxy)ethyl]-2-imidazo[2,1-b][1,3]thiazol-6-ylacetamide
CID 31336221
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
2-imidazo[2,1-b][1,3]thiazol-6-yl-N-(2-phenoxyethyl)acetamide
CID 32933501
methyl 3-[(2-imidazo[2,1-b][1,3]thiazol-6-ylacetyl)amino]propanoate
CID 60690600
2-imidazo[2,1-b][1,3]thiazol-6-yl-N-[2-(4-methylphenoxy)ethyl]acetamide
CID 18113438
N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2-phenylsulfanylacetamide
CID 52569566
2-imidazo[2,1-b][1,3]thiazol-6-yl-N-(2,2,2-trifluoroethyl)acetamide
CID 134025216
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-[3-(1H-1,2,4-triazol-5-yl)propyl]acetamide
CID 64546521
N-[(2R)-2-(3-chlorophenyl)-2-methoxyethyl]-2-imidazo[2,1-b][1,3]thiazol-6-ylacetamide
CID 96568619
2-imidazo[2,1-b][1,3]thiazol-6-yl-N-[2-(3-methylphenoxy)ethyl]acetamide
CID 40723170

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenyl)sulfanylethyl]-2-imidazo[2,1-b][1,3]thiazol-6-ylacetamide?
The IUPAC name of N-[2-(4-chlorophenyl)sulfanylethyl]-2-imidazo[2,1-b][1,3]thiazol-6-ylacetamide (CID 17423299) is N-[2-(4-chlorophenyl)sulfanylethyl]-2-imidazo[2,1-b][1,3]thiazol-6-ylacetamide.
What is the SMILES notation for N-[2-(4-chlorophenyl)sulfanylethyl]-2-imidazo[2,1-b][1,3]thiazol-6-ylacetamide?
The canonical SMILES for N-[2-(4-chlorophenyl)sulfanylethyl]-2-imidazo[2,1-b][1,3]thiazol-6-ylacetamide is O=C(Cc1cn2ccsc2n1)NCCSc1ccc(Cl)cc1.
What is the InChIKey of N-[2-(4-chlorophenyl)sulfanylethyl]-2-imidazo[2,1-b][1,3]thiazol-6-ylacetamide?
The InChIKey is NBVKMRMWUOKSFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClN3OS2/c16-11-1-3-13(4-2-11)21-7-5-17-14(20)9-12-10-19-6-8-22-15(19)18-12/h1-4,6,8,10H,5,7,9H2,(H,17,20).
What are the key properties of N-[2-(4-chlorophenyl)sulfanylethyl]-2-imidazo[2,1-b][1,3]thiazol-6-ylacetamide?
N-[2-(4-chlorophenyl)sulfanylethyl]-2-imidazo[2,1-b][1,3]thiazol-6-ylacetamide has a molecular weight of 351.88 g/mol, XLogP of 3.50, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chlorophenyl)sulfanylethyl]-2-imidazo[2,1-b][1,3]thiazol-6-ylacetamide is sourced from PubChem (CID 17423299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).