3-(imidazo[2,1-b][1,3]thiazol-6-ylmethoxy)-5-methoxybenzenecarbothioamide

C14H13N3O2S2 — CID 103567303

IUPAC3-(imidazo[2,1-b][1,3]thiazol-6-ylmethoxy)-5-methoxybenzenecarbothioamide
SMILESCOc1cc(OCc2cn3ccsc3n2)cc(C(N)=S)c1
InChIInChI=1S/C14H13N3O2S2/c1-18-11-4-9(13(15)20)5-12(6-11)19-8-10-7-17-2-3-21-14(17)16-10/h2-7H,8H2,1H3,(H2,15,20)
InChIKeyVUNGIBYYWOZWJY-UHFFFAOYSA-N
MW319.41 g/mol
LogP2.62
Rot. Bonds5

About 3-(imidazo[2,1-b][1,3]thiazol-6-ylmethoxy)-5-methoxybenzenecarbothioamide

3-(imidazo[2,1-b][1,3]thiazol-6-ylmethoxy)-5-methoxybenzenecarbothioamide (PubChem CID 103567303) has the molecular formula C14H13N3O2S2 and a molecular weight of 319.41 g/mol. Its IUPAC name is 3-(imidazo[2,1-b][1,3]thiazol-6-ylmethoxy)-5-methoxybenzenecarbothioamide.

Molecular Properties

Compound Name3-(imidazo[2,1-b][1,3]thiazol-6-ylmethoxy)-5-methoxybenzenecarbothioamide
PubChem CID103567303
Molecular FormulaC14H13N3O2S2
Molecular Weight319.41 g/mol
Exact Mass319.04
IUPAC Name3-(imidazo[2,1-b][1,3]thiazol-6-ylmethoxy)-5-methoxybenzenecarbothioamide
SMILESCOc1cc(OCc2cn3ccsc3n2)cc(C(N)=S)c1
InChIInChI=1S/C14H13N3O2S2/c1-18-11-4-9(13(15)20)5-12(6-11)19-8-10-7-17-2-3-21-14(17)16-10/h2-7H,8H2,1H3,(H2,15,20)
InChIKeyVUNGIBYYWOZWJY-UHFFFAOYSA-N
XLogP2.62
TPSA61.78 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.41
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N'-hydroxy-3-(imidazo[2,1-b][1,3]thiazol-6-ylmethoxy)benzenecarboximidamide
CID 115331977
N'-hydroxy-4-(imidazo[2,1-b][1,3]thiazol-6-ylmethoxy)benzenecarboximidamide
CID 115331979
[2-(imidazo[2,1-b][1,3]thiazol-6-ylmethoxy)-5-methoxyphenyl]methanol
CID 115332156
1-[2-(imidazo[2,1-b][1,3]thiazol-6-ylmethoxy)-4-methoxyphenyl]ethanone
CID 82002993
1-[4-(imidazo[2,1-b][1,3]thiazol-6-ylmethoxy)phenyl]ethanol
CID 115332160
(NZ)-N-[1-[4-(imidazo[2,1-b][1,3]thiazol-6-ylmethoxy)phenyl]propylidene]hydroxylamine
CID 115332012
2-amino-5-(imidazo[2,1-b][1,3]thiazol-6-ylmethoxy)benzoic acid
CID 107076961
imidazo[2,1-b][1,3]thiazol-6-ylmethyl 4-amino-3-methoxybenzoate
CID 104784225
2-chloro-6-(imidazo[2,1-b][1,3]thiazol-6-ylmethoxy)benzenecarbothioamide
CID 115331871
3-[(1-ethylpyrazol-4-yl)methoxy]-5-methoxybenzenecarbothioamide
CID 103567293
6-[(3-chlorophenoxy)methyl]imidazo[2,1-b][1,3]thiazole
CID 115334810
N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-4-methoxybenzamide
CID 3658662

Frequently Asked Questions

What is the IUPAC name of 3-(imidazo[2,1-b][1,3]thiazol-6-ylmethoxy)-5-methoxybenzenecarbothioamide?
The IUPAC name of 3-(imidazo[2,1-b][1,3]thiazol-6-ylmethoxy)-5-methoxybenzenecarbothioamide (CID 103567303) is 3-(imidazo[2,1-b][1,3]thiazol-6-ylmethoxy)-5-methoxybenzenecarbothioamide.
What is the SMILES notation for 3-(imidazo[2,1-b][1,3]thiazol-6-ylmethoxy)-5-methoxybenzenecarbothioamide?
The canonical SMILES for 3-(imidazo[2,1-b][1,3]thiazol-6-ylmethoxy)-5-methoxybenzenecarbothioamide is COc1cc(OCc2cn3ccsc3n2)cc(C(N)=S)c1.
What is the InChIKey of 3-(imidazo[2,1-b][1,3]thiazol-6-ylmethoxy)-5-methoxybenzenecarbothioamide?
The InChIKey is VUNGIBYYWOZWJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O2S2/c1-18-11-4-9(13(15)20)5-12(6-11)19-8-10-7-17-2-3-21-14(17)16-10/h2-7H,8H2,1H3,(H2,15,20).
What are the key properties of 3-(imidazo[2,1-b][1,3]thiazol-6-ylmethoxy)-5-methoxybenzenecarbothioamide?
3-(imidazo[2,1-b][1,3]thiazol-6-ylmethoxy)-5-methoxybenzenecarbothioamide has a molecular weight of 319.41 g/mol, XLogP of 2.62, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(imidazo[2,1-b][1,3]thiazol-6-ylmethoxy)-5-methoxybenzenecarbothioamide is sourced from PubChem (CID 103567303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).