[1-[(5-ethyl-1,3,4-thiadiazol-2-yl)methyl]imidazol-2-yl]-phenylmethanol

C15H16N4OS — CID 86817089

IUPAC[1-[(5-ethyl-1,3,4-thiadiazol-2-yl)methyl]imidazol-2-yl]-phenylmethanol
SMILESCCc1nnc(Cn2ccnc2C(O)c2ccccc2)s1
InChIInChI=1S/C15H16N4OS/c1-2-12-17-18-13(21-12)10-19-9-8-16-15(19)14(20)11-6-4-3-5-7-11/h3-9,14,20H,2,10H2,1H3
InChIKeyQGNZHLOSHHLYHC-UHFFFAOYSA-N
MW300.39 g/mol
LogP2.43
Rot. Bonds5

About [1-[(5-ethyl-1,3,4-thiadiazol-2-yl)methyl]imidazol-2-yl]-phenylmethanol

[1-[(5-ethyl-1,3,4-thiadiazol-2-yl)methyl]imidazol-2-yl]-phenylmethanol (PubChem CID 86817089) has the molecular formula C15H16N4OS and a molecular weight of 300.39 g/mol. Its IUPAC name is [1-[(5-ethyl-1,3,4-thiadiazol-2-yl)methyl]imidazol-2-yl]-phenylmethanol.

Molecular Properties

Compound Name[1-[(5-ethyl-1,3,4-thiadiazol-2-yl)methyl]imidazol-2-yl]-phenylmethanol
PubChem CID86817089
Molecular FormulaC15H16N4OS
Molecular Weight300.39 g/mol
Exact Mass300.10
IUPAC Name[1-[(5-ethyl-1,3,4-thiadiazol-2-yl)methyl]imidazol-2-yl]-phenylmethanol
SMILESCCc1nnc(Cn2ccnc2C(O)c2ccccc2)s1
InChIInChI=1S/C15H16N4OS/c1-2-12-17-18-13(21-12)10-19-9-8-16-15(19)14(20)11-6-4-3-5-7-11/h3-9,14,20H,2,10H2,1H3
InChIKeyQGNZHLOSHHLYHC-UHFFFAOYSA-N
XLogP2.43
TPSA63.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.39
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [1-[(5-ethyl-1,3,4-thiadiazol-2-yl)methyl]imidazol-2-yl]-phenylmethanol?
The IUPAC name of [1-[(5-ethyl-1,3,4-thiadiazol-2-yl)methyl]imidazol-2-yl]-phenylmethanol (CID 86817089) is [1-[(5-ethyl-1,3,4-thiadiazol-2-yl)methyl]imidazol-2-yl]-phenylmethanol.
What is the SMILES notation for [1-[(5-ethyl-1,3,4-thiadiazol-2-yl)methyl]imidazol-2-yl]-phenylmethanol?
The canonical SMILES for [1-[(5-ethyl-1,3,4-thiadiazol-2-yl)methyl]imidazol-2-yl]-phenylmethanol is CCc1nnc(Cn2ccnc2C(O)c2ccccc2)s1.
What is the InChIKey of [1-[(5-ethyl-1,3,4-thiadiazol-2-yl)methyl]imidazol-2-yl]-phenylmethanol?
The InChIKey is QGNZHLOSHHLYHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4OS/c1-2-12-17-18-13(21-12)10-19-9-8-16-15(19)14(20)11-6-4-3-5-7-11/h3-9,14,20H,2,10H2,1H3.
What are the key properties of [1-[(5-ethyl-1,3,4-thiadiazol-2-yl)methyl]imidazol-2-yl]-phenylmethanol?
[1-[(5-ethyl-1,3,4-thiadiazol-2-yl)methyl]imidazol-2-yl]-phenylmethanol has a molecular weight of 300.39 g/mol, XLogP of 2.43, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(5-ethyl-1,3,4-thiadiazol-2-yl)methyl]imidazol-2-yl]-phenylmethanol is sourced from PubChem (CID 86817089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).