4-[[(1-methylimidazol-2-yl)amino]methyl]-3H-1,3-thiazol-2-one

C8H10N4OS — CID 106382050

IUPAC4-[[(1-methylimidazol-2-yl)amino]methyl]-3H-1,3-thiazol-2-one
SMILESCn1ccnc1NCc1csc(=O)[nH]1
InChIInChI=1S/C8H10N4OS/c1-12-3-2-9-7(12)10-4-6-5-14-8(13)11-6/h2-3,5H,4H2,1H3,(H,9,10)(H,11,13)
InChIKeyNBRHYZQEWYLLSZ-UHFFFAOYSA-N
MW210.26 g/mol
LogP0.78
Rot. Bonds3

About 4-[[(1-methylimidazol-2-yl)amino]methyl]-3H-1,3-thiazol-2-one

4-[[(1-methylimidazol-2-yl)amino]methyl]-3H-1,3-thiazol-2-one (PubChem CID 106382050) has the molecular formula C8H10N4OS and a molecular weight of 210.26 g/mol. Its IUPAC name is 4-[[(1-methylimidazol-2-yl)amino]methyl]-3H-1,3-thiazol-2-one.

Molecular Properties

Compound Name4-[[(1-methylimidazol-2-yl)amino]methyl]-3H-1,3-thiazol-2-one
PubChem CID106382050
Molecular FormulaC8H10N4OS
Molecular Weight210.26 g/mol
Exact Mass210.06
IUPAC Name4-[[(1-methylimidazol-2-yl)amino]methyl]-3H-1,3-thiazol-2-one
SMILESCn1ccnc1NCc1csc(=O)[nH]1
InChIInChI=1S/C8H10N4OS/c1-12-3-2-9-7(12)10-4-6-5-14-8(13)11-6/h2-3,5H,4H2,1H3,(H,9,10)(H,11,13)
InChIKeyNBRHYZQEWYLLSZ-UHFFFAOYSA-N
XLogP0.78
TPSA62.71 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.26
LogP ≤ 50.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-[[(3-oxo-4-propylpyrazin-2-yl)amino]methyl]-3H-1,3-thiazol-2-one
CID 114181572
4-[[1-(1-methylimidazol-2-yl)ethylamino]methyl]-3H-1,3-thiazol-2-one
CID 106380424
4-[[(3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)amino]methyl]-3H-1,3-thiazol-2-one
CID 106382210
4-[(1,2,4-thiadiazol-5-ylamino)methyl]-3H-1,3-thiazol-2-one
CID 106381996
4-[[(3-ethoxy-2-pyridinyl)amino]methyl]-3H-1,3-thiazol-2-one
CID 106382213
4-[[[4-methoxy-6-(methylamino)-1,3,5-triazin-2-yl]amino]methyl]-3H-1,3-thiazol-2-one
CID 106384162
4-[[[5-methyl-6-(methylamino)pyrimidin-4-yl]amino]methyl]-3H-1,3-thiazol-2-one
CID 106384084
4-[[(4-chloro-1,3-thiazol-2-yl)amino]methyl]-3H-1,3-thiazol-2-one
CID 106381978
4-[[(5-chloro-1-methyl-6-oxopyridazin-4-yl)amino]methyl]-3H-1,3-thiazol-2-one
CID 106382261
4-[(furo[3,2-c]pyridin-4-ylamino)methyl]-3H-1,3-thiazol-2-one
CID 114181566
4-[[[5-[(tert-butylamino)methyl]-1,3,4-oxadiazol-2-yl]amino]methyl]-3H-1,3-thiazol-2-one
CID 106384429
1-methyl-N-[(2-methyltriazol-4-yl)methyl]imidazol-2-amine
CID 130935235

Frequently Asked Questions

What is the IUPAC name of 4-[[(1-methylimidazol-2-yl)amino]methyl]-3H-1,3-thiazol-2-one?
The IUPAC name of 4-[[(1-methylimidazol-2-yl)amino]methyl]-3H-1,3-thiazol-2-one (CID 106382050) is 4-[[(1-methylimidazol-2-yl)amino]methyl]-3H-1,3-thiazol-2-one.
What is the SMILES notation for 4-[[(1-methylimidazol-2-yl)amino]methyl]-3H-1,3-thiazol-2-one?
The canonical SMILES for 4-[[(1-methylimidazol-2-yl)amino]methyl]-3H-1,3-thiazol-2-one is Cn1ccnc1NCc1csc(=O)[nH]1.
What is the InChIKey of 4-[[(1-methylimidazol-2-yl)amino]methyl]-3H-1,3-thiazol-2-one?
The InChIKey is NBRHYZQEWYLLSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N4OS/c1-12-3-2-9-7(12)10-4-6-5-14-8(13)11-6/h2-3,5H,4H2,1H3,(H,9,10)(H,11,13).
What are the key properties of 4-[[(1-methylimidazol-2-yl)amino]methyl]-3H-1,3-thiazol-2-one?
4-[[(1-methylimidazol-2-yl)amino]methyl]-3H-1,3-thiazol-2-one has a molecular weight of 210.26 g/mol, XLogP of 0.78, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(1-methylimidazol-2-yl)amino]methyl]-3H-1,3-thiazol-2-one is sourced from PubChem (CID 106382050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).