[3-methyl-2-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methylsulfanyl]imidazol-4-yl]methanol

C13H13N3OS3 — CID 66150042

IUPAC[3-methyl-2-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methylsulfanyl]imidazol-4-yl]methanol
SMILESCn1c(CO)cnc1SCc1csc(-c2ccsc2)n1
InChIInChI=1S/C13H13N3OS3/c1-16-11(5-17)4-14-13(16)20-8-10-7-19-12(15-10)9-2-3-18-6-9/h2-4,6-7,17H,5,8H2,1H3
InChIKeyAEVVVLAKGYPGEU-UHFFFAOYSA-N
MW323.47 g/mol
LogP3.39
Rot. Bonds5

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

[3-methyl-2-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methylsulfanyl]imidazol-4-yl]methanol (PubChem CID 66150042) has the molecular formula C13H13N3OS3 and a molecular weight of 323.47 g/mol. Its IUPAC name is [3-methyl-2-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methylsulfanyl]imidazol-4-yl]methanol.

Molecular Properties

Compound Name[3-methyl-2-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methylsulfanyl]imidazol-4-yl]methanol
PubChem CID66150042
Molecular FormulaC13H13N3OS3
Molecular Weight323.47 g/mol
Exact Mass323.02
IUPAC Name[3-methyl-2-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methylsulfanyl]imidazol-4-yl]methanol
SMILESCn1c(CO)cnc1SCc1csc(-c2ccsc2)n1
InChIInChI=1S/C13H13N3OS3/c1-16-11(5-17)4-14-13(16)20-8-10-7-19-12(15-10)9-2-3-18-6-9/h2-4,6-7,17H,5,8H2,1H3
InChIKeyAEVVVLAKGYPGEU-UHFFFAOYSA-N
XLogP3.39
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.47
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [3-methyl-2-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methylsulfanyl]imidazol-4-yl]methanol?
The IUPAC name of [3-methyl-2-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methylsulfanyl]imidazol-4-yl]methanol (CID 66150042) is [3-methyl-2-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methylsulfanyl]imidazol-4-yl]methanol.
What is the SMILES notation for [3-methyl-2-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methylsulfanyl]imidazol-4-yl]methanol?
The canonical SMILES for [3-methyl-2-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methylsulfanyl]imidazol-4-yl]methanol is Cn1c(CO)cnc1SCc1csc(-c2ccsc2)n1.
What is the InChIKey of [3-methyl-2-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methylsulfanyl]imidazol-4-yl]methanol?
The InChIKey is AEVVVLAKGYPGEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3OS3/c1-16-11(5-17)4-14-13(16)20-8-10-7-19-12(15-10)9-2-3-18-6-9/h2-4,6-7,17H,5,8H2,1H3.
What are the key properties of [3-methyl-2-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methylsulfanyl]imidazol-4-yl]methanol?
[3-methyl-2-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methylsulfanyl]imidazol-4-yl]methanol has a molecular weight of 323.47 g/mol, XLogP of 3.39, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [3-methyl-2-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methylsulfanyl]imidazol-4-yl]methanol is sourced from PubChem (CID 66150042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).