3-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-5-iodo-2-methylpyrimidin-4-one

C11H9IN4OS — CID 113289281

IUPAC3-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-5-iodo-2-methylpyrimidin-4-one
SMILESCc1ncc(I)c(=O)n1Cc1cn2ccsc2n1
InChIInChI=1S/C11H9IN4OS/c1-7-13-4-9(12)10(17)16(7)6-8-5-15-2-3-18-11(15)14-8/h2-5H,6H2,1H3
InChIKeyMHOXEZOTPVHRCO-UHFFFAOYSA-N
MW372.19 g/mol
LogP1.91
Rot. Bonds2

About 3-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-5-iodo-2-methylpyrimidin-4-one

3-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-5-iodo-2-methylpyrimidin-4-one (PubChem CID 113289281) has the molecular formula C11H9IN4OS and a molecular weight of 372.19 g/mol. Its IUPAC name is 3-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-5-iodo-2-methylpyrimidin-4-one.

Molecular Properties

Compound Name3-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-5-iodo-2-methylpyrimidin-4-one
PubChem CID113289281
Molecular FormulaC11H9IN4OS
Molecular Weight372.19 g/mol
Exact Mass371.95
IUPAC Name3-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-5-iodo-2-methylpyrimidin-4-one
SMILESCc1ncc(I)c(=O)n1Cc1cn2ccsc2n1
InChIInChI=1S/C11H9IN4OS/c1-7-13-4-9(12)10(17)16(7)6-8-5-15-2-3-18-11(15)14-8/h2-5H,6H2,1H3
InChIKeyMHOXEZOTPVHRCO-UHFFFAOYSA-N
XLogP1.91
TPSA52.19 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.19
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

3-(imidazo[1,2-a]pyridin-2-ylmethyl)-5-iodo-2-methylpyrimidin-4-one
CID 66342937
6-[(2-methylimidazol-1-yl)methyl]imidazo[2,1-b][1,3]thiazole
CID 78918699
3-[(6-chloro-2-pyridinyl)methyl]-5-iodo-2-methylpyrimidin-4-one
CID 79241250
3-chloro-1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)pyrazin-2-one
CID 114561657
5-amino-3-bromo-1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-4-methylpyridin-2-one
CID 104505797
6-[(2,3,4-trimethylpyrrol-1-yl)methyl]imidazo[2,1-b][1,3]thiazole
CID 115334565
3-[(4-amino-6-methylpyrimidin-2-yl)methyl]-5-iodo-2-methylpyrimidin-4-one
CID 80654198
6-(chloromethyl)imidazo[2,1-b][1,3]thiazole
CID 18804066
imidazo[2,1-b][1,3]thiazol-6-ylmethylazanium
CID 7062758
2-imidazo[2,1-b][1,3]thiazol-6-yl-1-(6-methyl-3-pyridinyl)ethanone
CID 105123048
1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)triazol-4-amine
CID 115335312
5-iodo-2-methyl-3-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]pyrimidin-4-one
CID 66340473

Frequently Asked Questions

What is the IUPAC name of 3-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-5-iodo-2-methylpyrimidin-4-one?
The IUPAC name of 3-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-5-iodo-2-methylpyrimidin-4-one (CID 113289281) is 3-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-5-iodo-2-methylpyrimidin-4-one.
What is the SMILES notation for 3-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-5-iodo-2-methylpyrimidin-4-one?
The canonical SMILES for 3-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-5-iodo-2-methylpyrimidin-4-one is Cc1ncc(I)c(=O)n1Cc1cn2ccsc2n1.
What is the InChIKey of 3-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-5-iodo-2-methylpyrimidin-4-one?
The InChIKey is MHOXEZOTPVHRCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9IN4OS/c1-7-13-4-9(12)10(17)16(7)6-8-5-15-2-3-18-11(15)14-8/h2-5H,6H2,1H3.
What are the key properties of 3-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-5-iodo-2-methylpyrimidin-4-one?
3-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-5-iodo-2-methylpyrimidin-4-one has a molecular weight of 372.19 g/mol, XLogP of 1.91, 2 rotatable bonds, 0 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-ylmethyl)-5-iodo-2-methylpyrimidin-4-one is sourced from PubChem (CID 113289281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).