2-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,4-dihydroimidazol-5-one

C8H9N3OS — CID 106951745

IUPAC2-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,4-dihydroimidazol-5-one
SMILESCc1csc(CC2=NCC(=O)N2)n1
InChIInChI=1S/C8H9N3OS/c1-5-4-13-8(10-5)2-6-9-3-7(12)11-6/h4H,2-3H2,1H3,(H,9,11,12)
InChIKeyBGEGGYCURMKPRH-UHFFFAOYSA-N
MW195.25 g/mol
LogP0.52
Rot. Bonds2

About 2-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,4-dihydroimidazol-5-one

2-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,4-dihydroimidazol-5-one (PubChem CID 106951745) has the molecular formula C8H9N3OS and a molecular weight of 195.25 g/mol. Its IUPAC name is 2-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,4-dihydroimidazol-5-one.

Molecular Properties

Compound Name2-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,4-dihydroimidazol-5-one
PubChem CID106951745
Molecular FormulaC8H9N3OS
Molecular Weight195.25 g/mol
Exact Mass195.05
IUPAC Name2-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,4-dihydroimidazol-5-one
SMILESCc1csc(CC2=NCC(=O)N2)n1
InChIInChI=1S/C8H9N3OS/c1-5-4-13-8(10-5)2-6-9-3-7(12)11-6/h4H,2-3H2,1H3,(H,9,11,12)
InChIKeyBGEGGYCURMKPRH-UHFFFAOYSA-N
XLogP0.52
TPSA54.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.25
LogP ≤ 50.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]piperazine-2,5-dione
CID 64955773
2-ethyl-4-methyl-1,3-thiazole
CID 27440
azane;2-ethyl-4-methyl-1,3-thiazole
CID 69058661
2-benzyl-4-methyl-1,3-thiazole;ethane
CID 91344843
(3R)-3-methyl-5-[2-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,3-thiazol-4-yl]-1,3-dihydroindol-2-one
CID 9422912
ethane;(4-methyl-1,3-thiazol-2-yl)methanol
CID 144707130
3-ethyl-1-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]piperazine-2,5-dione
CID 64970556
2-N,2-N,6-N-trimethyl-4-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,3,5-triazine-2,4,6-triamine
CID 80807387
4-N-methyl-2-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine
CID 80783828
2-[methyl-[(4-methyl-1,3-thiazol-2-yl)methyl]amino]ethanol
CID 79673929
2-(2-isocyanatoethyl)-4-methyl-1,3-thiazole
CID 63240261
CID 131842856
CID 131842856

Frequently Asked Questions

What is the IUPAC name of 2-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,4-dihydroimidazol-5-one?
The IUPAC name of 2-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,4-dihydroimidazol-5-one (CID 106951745) is 2-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,4-dihydroimidazol-5-one.
What is the SMILES notation for 2-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,4-dihydroimidazol-5-one?
The canonical SMILES for 2-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,4-dihydroimidazol-5-one is Cc1csc(CC2=NCC(=O)N2)n1.
What is the InChIKey of 2-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,4-dihydroimidazol-5-one?
The InChIKey is BGEGGYCURMKPRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N3OS/c1-5-4-13-8(10-5)2-6-9-3-7(12)11-6/h4H,2-3H2,1H3,(H,9,11,12).
What are the key properties of 2-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,4-dihydroimidazol-5-one?
2-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,4-dihydroimidazol-5-one has a molecular weight of 195.25 g/mol, XLogP of 0.52, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,4-dihydroimidazol-5-one is sourced from PubChem (CID 106951745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).