2-(1H-imidazol-5-ylmethyl)-4-(1,3-thiazol-2-yl)-1,3-thiazole

C10H8N4S2 — CID 86185790

IUPAC2-(1H-imidazol-5-ylmethyl)-4-(1,3-thiazol-2-yl)-1,3-thiazole
SMILESc1csc(-c2csc(Cc3cnc[nH]3)n2)n1
InChIInChI=1S/C10H8N4S2/c1-2-15-10(12-1)8-5-16-9(14-8)3-7-4-11-6-13-7/h1-2,4-6H,3H2,(H,11,13)
InChIKeyQFCWNZODEJLQAD-UHFFFAOYSA-N
MW248.34 g/mol
LogP2.58
Rot. Bonds3

About 2-(1H-imidazol-5-ylmethyl)-4-(1,3-thiazol-2-yl)-1,3-thiazole

2-(1H-imidazol-5-ylmethyl)-4-(1,3-thiazol-2-yl)-1,3-thiazole (PubChem CID 86185790) has the molecular formula C10H8N4S2 and a molecular weight of 248.34 g/mol. Its IUPAC name is 2-(1H-imidazol-5-ylmethyl)-4-(1,3-thiazol-2-yl)-1,3-thiazole.

Molecular Properties

Compound Name2-(1H-imidazol-5-ylmethyl)-4-(1,3-thiazol-2-yl)-1,3-thiazole
PubChem CID86185790
Molecular FormulaC10H8N4S2
Molecular Weight248.34 g/mol
Exact Mass248.02
IUPAC Name2-(1H-imidazol-5-ylmethyl)-4-(1,3-thiazol-2-yl)-1,3-thiazole
SMILESc1csc(-c2csc(Cc3cnc[nH]3)n2)n1
InChIInChI=1S/C10H8N4S2/c1-2-15-10(12-1)8-5-16-9(14-8)3-7-4-11-6-13-7/h1-2,4-6H,3H2,(H,11,13)
InChIKeyQFCWNZODEJLQAD-UHFFFAOYSA-N
XLogP2.58
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.34
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(1H-imidazol-5-ylmethyl)-4-(1,3-thiazol-2-yl)-1,3-thiazole?
The IUPAC name of 2-(1H-imidazol-5-ylmethyl)-4-(1,3-thiazol-2-yl)-1,3-thiazole (CID 86185790) is 2-(1H-imidazol-5-ylmethyl)-4-(1,3-thiazol-2-yl)-1,3-thiazole.
What is the SMILES notation for 2-(1H-imidazol-5-ylmethyl)-4-(1,3-thiazol-2-yl)-1,3-thiazole?
The canonical SMILES for 2-(1H-imidazol-5-ylmethyl)-4-(1,3-thiazol-2-yl)-1,3-thiazole is c1csc(-c2csc(Cc3cnc[nH]3)n2)n1.
What is the InChIKey of 2-(1H-imidazol-5-ylmethyl)-4-(1,3-thiazol-2-yl)-1,3-thiazole?
The InChIKey is QFCWNZODEJLQAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N4S2/c1-2-15-10(12-1)8-5-16-9(14-8)3-7-4-11-6-13-7/h1-2,4-6H,3H2,(H,11,13).
What are the key properties of 2-(1H-imidazol-5-ylmethyl)-4-(1,3-thiazol-2-yl)-1,3-thiazole?
2-(1H-imidazol-5-ylmethyl)-4-(1,3-thiazol-2-yl)-1,3-thiazole has a molecular weight of 248.34 g/mol, XLogP of 2.58, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-imidazol-5-ylmethyl)-4-(1,3-thiazol-2-yl)-1,3-thiazole is sourced from PubChem (CID 86185790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).