5-[[6-(4-bromophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]methyl]-N-ethyl-1,3,4-thiadiazol-2-amine

C16H14BrN5S2 — CID 44817517

IUPAC5-[[6-(4-bromophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]methyl]-N-ethyl-1,3,4-thiadiazol-2-amine
SMILESCCNc1nnc(Cc2csc3nc(-c4ccc(Br)cc4)cn23)s1
InChIInChI=1S/C16H14BrN5S2/c1-2-18-15-21-20-14(24-15)7-12-9-23-16-19-13(8-22(12)16)10-3-5-11(17)6-4-10/h3-6,8-9H,2,7H2,1H3,(H,18,21)
InChIKeyBFFWGVPQZJOHKK-UHFFFAOYSA-N
MW420.36 g/mol
LogP4.70
Rot. Bonds5

About 5-[[6-(4-bromophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]methyl]-N-ethyl-1,3,4-thiadiazol-2-amine

5-[[6-(4-bromophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]methyl]-N-ethyl-1,3,4-thiadiazol-2-amine (PubChem CID 44817517) has the molecular formula C16H14BrN5S2 and a molecular weight of 420.36 g/mol. Its IUPAC name is 5-[[6-(4-bromophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]methyl]-N-ethyl-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-[[6-(4-bromophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]methyl]-N-ethyl-1,3,4-thiadiazol-2-amine
PubChem CID44817517
Molecular FormulaC16H14BrN5S2
Molecular Weight420.36 g/mol
Exact Mass418.99
IUPAC Name5-[[6-(4-bromophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]methyl]-N-ethyl-1,3,4-thiadiazol-2-amine
SMILESCCNc1nnc(Cc2csc3nc(-c4ccc(Br)cc4)cn23)s1
InChIInChI=1S/C16H14BrN5S2/c1-2-18-15-21-20-14(24-15)7-12-9-23-16-19-13(8-22(12)16)10-3-5-11(17)6-4-10/h3-6,8-9H,2,7H2,1H3,(H,18,21)
InChIKeyBFFWGVPQZJOHKK-UHFFFAOYSA-N
XLogP4.70
TPSA55.11 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.36
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

3-[[6-(4-bromophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]methyl]-4-propyl-1H-1,2,4-triazole-5-thione
CID 44817463
6-(4-bromophenyl)imidazo[2,1-b][1,3]thiazol-3-amine
CID 82489917
6-(4-bromophenyl)-2-ethylimidazo[2,1-b][1,3,4]thiadiazole
CID 703338
2-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)acetamide
CID 24555263
2-[6-(4-ethoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N-methylacetamide
CID 40509194
6-(4-bromophenyl)-3-ethylimidazo[2,1-b][1,3]thiazole-2-carboxylic acid
CID 82035256
N-[(E)-(4-bromophenyl)methylideneamino]-2-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)acetamide
CID 10812955
N-(4-bromophenyl)-5-[[6-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]methyl]-1,3,4-thiadiazol-2-amine
CID 15965568
3-(4-bromophenyl)-2-ethyl-6-phenylimidazo[2,1-b][1,3]thiazole
CID 1180418
N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetamide
CID 24555522
N-(4-bromophenyl)-6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazole-3-carboxamide
CID 42270425
N-ethyl-4-(4-fluorophenyl)-1,3-thiazol-2-amine
CID 1132723

Frequently Asked Questions

What is the IUPAC name of 5-[[6-(4-bromophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]methyl]-N-ethyl-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-[[6-(4-bromophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]methyl]-N-ethyl-1,3,4-thiadiazol-2-amine (CID 44817517) is 5-[[6-(4-bromophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]methyl]-N-ethyl-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-[[6-(4-bromophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]methyl]-N-ethyl-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-[[6-(4-bromophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]methyl]-N-ethyl-1,3,4-thiadiazol-2-amine is CCNc1nnc(Cc2csc3nc(-c4ccc(Br)cc4)cn23)s1.
What is the InChIKey of 5-[[6-(4-bromophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]methyl]-N-ethyl-1,3,4-thiadiazol-2-amine?
The InChIKey is BFFWGVPQZJOHKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14BrN5S2/c1-2-18-15-21-20-14(24-15)7-12-9-23-16-19-13(8-22(12)16)10-3-5-11(17)6-4-10/h3-6,8-9H,2,7H2,1H3,(H,18,21).
What are the key properties of 5-[[6-(4-bromophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]methyl]-N-ethyl-1,3,4-thiadiazol-2-amine?
5-[[6-(4-bromophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]methyl]-N-ethyl-1,3,4-thiadiazol-2-amine has a molecular weight of 420.36 g/mol, XLogP of 4.70, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[6-(4-bromophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]methyl]-N-ethyl-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 44817517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).