2-(imidazo[2,1-b][1,3]thiazol-6-ylmethylsulfanyl)-4-methyl-1H-pyrimidin-6-one

C11H10N4OS2 — CID 135443248

IUPAC2-(imidazo[2,1-b][1,3]thiazol-6-ylmethylsulfanyl)-4-methyl-1H-pyrimidin-6-one
SMILESCc1cc(=O)[nH]c(SCc2cn3ccsc3n2)n1
InChIInChI=1S/C11H10N4OS2/c1-7-4-9(16)14-10(12-7)18-6-8-5-15-2-3-17-11(15)13-8/h2-5H,6H2,1H3,(H,12,14,16)
InChIKeyOBSGOSTVBSAABX-UHFFFAOYSA-N
MW278.36 g/mol
LogP2.08
Rot. Bonds3

About 2-(imidazo[2,1-b][1,3]thiazol-6-ylmethylsulfanyl)-4-methyl-1H-pyrimidin-6-one

2-(imidazo[2,1-b][1,3]thiazol-6-ylmethylsulfanyl)-4-methyl-1H-pyrimidin-6-one (PubChem CID 135443248) has the molecular formula C11H10N4OS2 and a molecular weight of 278.36 g/mol. Its IUPAC name is 2-(imidazo[2,1-b][1,3]thiazol-6-ylmethylsulfanyl)-4-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(imidazo[2,1-b][1,3]thiazol-6-ylmethylsulfanyl)-4-methyl-1H-pyrimidin-6-one
PubChem CID135443248
Molecular FormulaC11H10N4OS2
Molecular Weight278.36 g/mol
Exact Mass278.03
IUPAC Name2-(imidazo[2,1-b][1,3]thiazol-6-ylmethylsulfanyl)-4-methyl-1H-pyrimidin-6-one
SMILESCc1cc(=O)[nH]c(SCc2cn3ccsc3n2)n1
InChIInChI=1S/C11H10N4OS2/c1-7-4-9(16)14-10(12-7)18-6-8-5-15-2-3-17-11(15)13-8/h2-5H,6H2,1H3,(H,12,14,16)
InChIKeyOBSGOSTVBSAABX-UHFFFAOYSA-N
XLogP2.08
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-Amino-3-(imidazo[2,1-b][1,3]thiazol-6-ylmethylsulfanyl)-6-methyl-1,2,4-triazin-5-one
CID 2999842
N-[(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)methyl]acetamide
CID 5310391
N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)acetamide
CID 3502401
Glycine, N,N-dimethyl-, ((6-methylimidazo(2,1-b)thiazol-5-yl)methylene)hydrazide
CID 13758220
N-(6-methylimidazo[2,1-b][1,3]thiazole-5-carbothioyl)propanamide
CID 4539981
N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2,2-dimethylpropanamide
CID 6623624
N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)butanamide
CID 6623495
2-(ethylthio)-N-(1-imidazo[2,1-b][1,3]thiazol-6-ylethyl)acetamide
CID 91829334
2-[(E)-(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methylideneamino]guanidine
CID 10421089
Imidazo[2,1-b][1,3]thiazol-6-ylmethyl diethyldithiocarbamate
CID 598068
6-methyl-N-(1,3-thiazol-2-yl)imidazo[2,1-b][1,3]thiazol-2-amine
CID 91452606
N-(imidazo-[2,1-b]thiazol-5-ylmethyl)acetamide
CID 154926110

Frequently Asked Questions

What is the IUPAC name of 2-(imidazo[2,1-b][1,3]thiazol-6-ylmethylsulfanyl)-4-methyl-1H-pyrimidin-6-one?
The IUPAC name of 2-(imidazo[2,1-b][1,3]thiazol-6-ylmethylsulfanyl)-4-methyl-1H-pyrimidin-6-one (CID 135443248) is 2-(imidazo[2,1-b][1,3]thiazol-6-ylmethylsulfanyl)-4-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(imidazo[2,1-b][1,3]thiazol-6-ylmethylsulfanyl)-4-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 2-(imidazo[2,1-b][1,3]thiazol-6-ylmethylsulfanyl)-4-methyl-1H-pyrimidin-6-one is Cc1cc(=O)[nH]c(SCc2cn3ccsc3n2)n1.
What is the InChIKey of 2-(imidazo[2,1-b][1,3]thiazol-6-ylmethylsulfanyl)-4-methyl-1H-pyrimidin-6-one?
The InChIKey is OBSGOSTVBSAABX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N4OS2/c1-7-4-9(16)14-10(12-7)18-6-8-5-15-2-3-17-11(15)13-8/h2-5H,6H2,1H3,(H,12,14,16).
What are the key properties of 2-(imidazo[2,1-b][1,3]thiazol-6-ylmethylsulfanyl)-4-methyl-1H-pyrimidin-6-one?
2-(imidazo[2,1-b][1,3]thiazol-6-ylmethylsulfanyl)-4-methyl-1H-pyrimidin-6-one has a molecular weight of 278.36 g/mol, XLogP of 2.08, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(imidazo[2,1-b][1,3]thiazol-6-ylmethylsulfanyl)-4-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 135443248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).