N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2-phenylsulfanylacetamide

C14H13N3OS2 — CID 52569566

IUPACN-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2-phenylsulfanylacetamide
SMILESO=C(CSc1ccccc1)NCc1cn2ccsc2n1
InChIInChI=1S/C14H13N3OS2/c18-13(10-20-12-4-2-1-3-5-12)15-8-11-9-17-6-7-19-14(17)16-11/h1-7,9H,8,10H2,(H,15,18)
InChIKeyJQUNGTJJMHQAJW-UHFFFAOYSA-N
MW303.41 g/mol
LogP2.80
Rot. Bonds5

About N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2-phenylsulfanylacetamide

N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2-phenylsulfanylacetamide (PubChem CID 52569566) has the molecular formula C14H13N3OS2 and a molecular weight of 303.41 g/mol. Its IUPAC name is N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2-phenylsulfanylacetamide.

Molecular Properties

Compound NameN-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2-phenylsulfanylacetamide
PubChem CID52569566
Molecular FormulaC14H13N3OS2
Molecular Weight303.41 g/mol
Exact Mass303.05
IUPAC NameN-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2-phenylsulfanylacetamide
SMILESO=C(CSc1ccccc1)NCc1cn2ccsc2n1
InChIInChI=1S/C14H13N3OS2/c18-13(10-20-12-4-2-1-3-5-12)15-8-11-9-17-6-7-19-14(17)16-11/h1-7,9H,8,10H2,(H,15,18)
InChIKeyJQUNGTJJMHQAJW-UHFFFAOYSA-N
XLogP2.80
TPSA46.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.41
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-imidazo[2,1-b][1,3]thiazol-6-yl-N-phenylacetamide
CID 4623847
N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2-(2-nitrophenyl)acetamide
CID 134027757
N-[2-(4-chlorophenyl)sulfanylethyl]-2-imidazo[2,1-b][1,3]thiazol-6-ylacetamide
CID 17423299
2-imidazo[2,1-b][1,3]thiazol-6-yl-N-[(2-phenylmethoxyphenyl)methyl]acetamide
CID 55806275
2-imidazo[2,1-b][1,3]thiazol-6-yl-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]acetamide
CID 17439083
N-[2-(imidazo[2,1-b][1,3]thiazol-6-ylmethylamino)-2-oxoethyl]-2,2-dimethylpropanamide
CID 134027782
2-imidazo[2,1-b][1,3]thiazol-6-yl-N-(2-phenoxyethyl)acetamide
CID 32933501
N-[2-(2-imidazo[2,1-b][1,3]thiazol-6-ylethylamino)-2-oxoethyl]benzamide
CID 110661562
2-imidazo[2,1-b][1,3]thiazol-6-yl-N-(pyridin-3-ylmethyl)acetamide
CID 35511835
N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-4-(4-oxo-3H-quinazolin-2-yl)butanamide
CID 137292591
1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2-methyl-3-(1-phenylethyl)guanidine;hydroiodide
CID 110949083
2-imidazo[2,1-b][1,3]thiazol-6-yl-N-[[2-(propoxymethyl)phenyl]methyl]acetamide
CID 87006464

Frequently Asked Questions

What is the IUPAC name of N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2-phenylsulfanylacetamide?
The IUPAC name of N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2-phenylsulfanylacetamide (CID 52569566) is N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2-phenylsulfanylacetamide.
What is the SMILES notation for N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2-phenylsulfanylacetamide?
The canonical SMILES for N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2-phenylsulfanylacetamide is O=C(CSc1ccccc1)NCc1cn2ccsc2n1.
What is the InChIKey of N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2-phenylsulfanylacetamide?
The InChIKey is JQUNGTJJMHQAJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3OS2/c18-13(10-20-12-4-2-1-3-5-12)15-8-11-9-17-6-7-19-14(17)16-11/h1-7,9H,8,10H2,(H,15,18).
What are the key properties of N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2-phenylsulfanylacetamide?
N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2-phenylsulfanylacetamide has a molecular weight of 303.41 g/mol, XLogP of 2.80, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2-phenylsulfanylacetamide is sourced from PubChem (CID 52569566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).