5-(1H-imidazol-2-ylmethyl)-1,3-thiazole

C7H7N3S — CID 91449994

IUPAC5-(1H-imidazol-2-ylmethyl)-1,3-thiazole
SMILESc1c[nH]c(Cc2cncs2)n1
InChIInChI=1S/C7H7N3S/c1-2-10-7(9-1)3-6-4-8-5-11-6/h1-2,4-5H,3H2,(H,9,10)
InChIKeyPFLORWAVIALUON-UHFFFAOYSA-N
MW165.22 g/mol
LogP1.46
Rot. Bonds2

About 5-(1H-imidazol-2-ylmethyl)-1,3-thiazole

5-(1H-imidazol-2-ylmethyl)-1,3-thiazole (PubChem CID 91449994) has the molecular formula C7H7N3S and a molecular weight of 165.22 g/mol. Its IUPAC name is 5-(1H-imidazol-2-ylmethyl)-1,3-thiazole.

Molecular Properties

Compound Name5-(1H-imidazol-2-ylmethyl)-1,3-thiazole
PubChem CID91449994
Molecular FormulaC7H7N3S
Molecular Weight165.22 g/mol
Exact Mass165.04
IUPAC Name5-(1H-imidazol-2-ylmethyl)-1,3-thiazole
SMILESc1c[nH]c(Cc2cncs2)n1
InChIInChI=1S/C7H7N3S/c1-2-10-7(9-1)3-6-4-8-5-11-6/h1-2,4-5H,3H2,(H,9,10)
InChIKeyPFLORWAVIALUON-UHFFFAOYSA-N
XLogP1.46
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.22
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(1H-imidazol-2-ylmethyl)-1,3-thiazole?
The IUPAC name of 5-(1H-imidazol-2-ylmethyl)-1,3-thiazole (CID 91449994) is 5-(1H-imidazol-2-ylmethyl)-1,3-thiazole.
What is the SMILES notation for 5-(1H-imidazol-2-ylmethyl)-1,3-thiazole?
The canonical SMILES for 5-(1H-imidazol-2-ylmethyl)-1,3-thiazole is c1c[nH]c(Cc2cncs2)n1.
What is the InChIKey of 5-(1H-imidazol-2-ylmethyl)-1,3-thiazole?
The InChIKey is PFLORWAVIALUON-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7N3S/c1-2-10-7(9-1)3-6-4-8-5-11-6/h1-2,4-5H,3H2,(H,9,10).
What are the key properties of 5-(1H-imidazol-2-ylmethyl)-1,3-thiazole?
5-(1H-imidazol-2-ylmethyl)-1,3-thiazole has a molecular weight of 165.22 g/mol, XLogP of 1.46, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1H-imidazol-2-ylmethyl)-1,3-thiazole is sourced from PubChem (CID 91449994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).