[2-[(2-methyl-1,3-thiazol-4-yl)methyl]-1H-imidazol-5-yl]methanol

C9H11N3OS — CID 63108323

IUPAC[2-[(2-methyl-1,3-thiazol-4-yl)methyl]-1H-imidazol-5-yl]methanol
SMILESCc1nc(Cc2ncc(CO)[nH]2)cs1
InChIInChI=1S/C9H11N3OS/c1-6-11-7(5-14-6)2-9-10-3-8(4-13)12-9/h3,5,13H,2,4H2,1H3,(H,10,12)
InChIKeyYAHMPCNQNFEFKC-UHFFFAOYSA-N
MW209.27 g/mol
LogP1.26
Rot. Bonds3

About [2-[(2-methyl-1,3-thiazol-4-yl)methyl]-1H-imidazol-5-yl]methanol

[2-[(2-methyl-1,3-thiazol-4-yl)methyl]-1H-imidazol-5-yl]methanol (PubChem CID 63108323) has the molecular formula C9H11N3OS and a molecular weight of 209.27 g/mol. Its IUPAC name is [2-[(2-methyl-1,3-thiazol-4-yl)methyl]-1H-imidazol-5-yl]methanol.

Molecular Properties

Compound Name[2-[(2-methyl-1,3-thiazol-4-yl)methyl]-1H-imidazol-5-yl]methanol
PubChem CID63108323
Molecular FormulaC9H11N3OS
Molecular Weight209.27 g/mol
Exact Mass209.06
IUPAC Name[2-[(2-methyl-1,3-thiazol-4-yl)methyl]-1H-imidazol-5-yl]methanol
SMILESCc1nc(Cc2ncc(CO)[nH]2)cs1
InChIInChI=1S/C9H11N3OS/c1-6-11-7(5-14-6)2-9-10-3-8(4-13)12-9/h3,5,13H,2,4H2,1H3,(H,10,12)
InChIKeyYAHMPCNQNFEFKC-UHFFFAOYSA-N
XLogP1.26
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.27
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-[(2-methyl-1,3-thiazol-4-yl)methyl]-1H-imidazol-5-yl]methanol?
The IUPAC name of [2-[(2-methyl-1,3-thiazol-4-yl)methyl]-1H-imidazol-5-yl]methanol (CID 63108323) is [2-[(2-methyl-1,3-thiazol-4-yl)methyl]-1H-imidazol-5-yl]methanol.
What is the SMILES notation for [2-[(2-methyl-1,3-thiazol-4-yl)methyl]-1H-imidazol-5-yl]methanol?
The canonical SMILES for [2-[(2-methyl-1,3-thiazol-4-yl)methyl]-1H-imidazol-5-yl]methanol is Cc1nc(Cc2ncc(CO)[nH]2)cs1.
What is the InChIKey of [2-[(2-methyl-1,3-thiazol-4-yl)methyl]-1H-imidazol-5-yl]methanol?
The InChIKey is YAHMPCNQNFEFKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3OS/c1-6-11-7(5-14-6)2-9-10-3-8(4-13)12-9/h3,5,13H,2,4H2,1H3,(H,10,12).
What are the key properties of [2-[(2-methyl-1,3-thiazol-4-yl)methyl]-1H-imidazol-5-yl]methanol?
[2-[(2-methyl-1,3-thiazol-4-yl)methyl]-1H-imidazol-5-yl]methanol has a molecular weight of 209.27 g/mol, XLogP of 1.26, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(2-methyl-1,3-thiazol-4-yl)methyl]-1H-imidazol-5-yl]methanol is sourced from PubChem (CID 63108323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).