6-[(2,3,4-trimethylpyrrol-1-yl)methyl]imidazo[2,1-b][1,3]thiazole

C13H15N3S — CID 115334565

IUPAC6-[(2,3,4-trimethylpyrrol-1-yl)methyl]imidazo[2,1-b][1,3]thiazole
SMILESCc1cn(Cc2cn3ccsc3n2)c(C)c1C
InChIInChI=1S/C13H15N3S/c1-9-6-16(11(3)10(9)2)8-12-7-15-4-5-17-13(15)14-12/h4-7H,8H2,1-3H3
InChIKeyHJAGNBSAKYKHBZ-UHFFFAOYSA-N
MW245.35 g/mol
LogP3.17
Rot. Bonds2

About 6-[(2,3,4-trimethylpyrrol-1-yl)methyl]imidazo[2,1-b][1,3]thiazole

6-[(2,3,4-trimethylpyrrol-1-yl)methyl]imidazo[2,1-b][1,3]thiazole (PubChem CID 115334565) has the molecular formula C13H15N3S and a molecular weight of 245.35 g/mol. Its IUPAC name is 6-[(2,3,4-trimethylpyrrol-1-yl)methyl]imidazo[2,1-b][1,3]thiazole.

Molecular Properties

Compound Name6-[(2,3,4-trimethylpyrrol-1-yl)methyl]imidazo[2,1-b][1,3]thiazole
PubChem CID115334565
Molecular FormulaC13H15N3S
Molecular Weight245.35 g/mol
Exact Mass245.10
IUPAC Name6-[(2,3,4-trimethylpyrrol-1-yl)methyl]imidazo[2,1-b][1,3]thiazole
SMILESCc1cn(Cc2cn3ccsc3n2)c(C)c1C
InChIInChI=1S/C13H15N3S/c1-9-6-16(11(3)10(9)2)8-12-7-15-4-5-17-13(15)14-12/h4-7H,8H2,1-3H3
InChIKeyHJAGNBSAKYKHBZ-UHFFFAOYSA-N
XLogP3.17
TPSA22.23 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.35
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

6-[(2-methylimidazol-1-yl)methyl]imidazo[2,1-b][1,3]thiazole
CID 78918699
5-amino-3-bromo-1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-4-methylpyridin-2-one
CID 104505797
6-(chloromethyl)imidazo[2,1-b][1,3]thiazole
CID 18804066
imidazo[2,1-b][1,3]thiazol-6-ylmethylazanium
CID 7062758
5-bromo-1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)pyridin-2-one
CID 78942968
6-(chloromethyl)imidazo[2,1-b][1,3]thiazole;hydrochloride
CID 76851866
1-[1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-5-methylpyrazol-4-yl]-N-methylmethanamine
CID 113289386
1-[1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)pyrrol-2-yl]propan-2-amine
CID 115334462
N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-3-methylbutan-2-amine
CID 81334513
3-chloro-1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)pyrazin-2-one
CID 114561657
trifluoro(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)boranuide
CID 115334554
N-[[1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)pyrrol-2-yl]methyl]propan-2-amine
CID 115332676

Frequently Asked Questions

What is the IUPAC name of 6-[(2,3,4-trimethylpyrrol-1-yl)methyl]imidazo[2,1-b][1,3]thiazole?
The IUPAC name of 6-[(2,3,4-trimethylpyrrol-1-yl)methyl]imidazo[2,1-b][1,3]thiazole (CID 115334565) is 6-[(2,3,4-trimethylpyrrol-1-yl)methyl]imidazo[2,1-b][1,3]thiazole.
What is the SMILES notation for 6-[(2,3,4-trimethylpyrrol-1-yl)methyl]imidazo[2,1-b][1,3]thiazole?
The canonical SMILES for 6-[(2,3,4-trimethylpyrrol-1-yl)methyl]imidazo[2,1-b][1,3]thiazole is Cc1cn(Cc2cn3ccsc3n2)c(C)c1C.
What is the InChIKey of 6-[(2,3,4-trimethylpyrrol-1-yl)methyl]imidazo[2,1-b][1,3]thiazole?
The InChIKey is HJAGNBSAKYKHBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3S/c1-9-6-16(11(3)10(9)2)8-12-7-15-4-5-17-13(15)14-12/h4-7H,8H2,1-3H3.
What are the key properties of 6-[(2,3,4-trimethylpyrrol-1-yl)methyl]imidazo[2,1-b][1,3]thiazole?
6-[(2,3,4-trimethylpyrrol-1-yl)methyl]imidazo[2,1-b][1,3]thiazole has a molecular weight of 245.35 g/mol, XLogP of 3.17, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2,3,4-trimethylpyrrol-1-yl)methyl]imidazo[2,1-b][1,3]thiazole is sourced from PubChem (CID 115334565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).