2-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]-1,3-thiazole

C10H8N4S2 — CID 155915530

IUPAC2-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]-1,3-thiazole
SMILESc1csc(-c2nccn2Cc2cscn2)n1
InChIInChI=1S/C10H8N4S2/c1-3-14(5-8-6-15-7-13-8)9(11-1)10-12-2-4-16-10/h1-4,6-7H,5H2
InChIKeyRCFWOFBRQMMQGH-UHFFFAOYSA-N
MW248.34 g/mol
LogP2.51
Rot. Bonds3

About 2-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]-1,3-thiazole

2-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]-1,3-thiazole (PubChem CID 155915530) has the molecular formula C10H8N4S2 and a molecular weight of 248.34 g/mol. Its IUPAC name is 2-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]-1,3-thiazole.

Molecular Properties

Compound Name2-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]-1,3-thiazole
PubChem CID155915530
Molecular FormulaC10H8N4S2
Molecular Weight248.34 g/mol
Exact Mass248.02
IUPAC Name2-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]-1,3-thiazole
SMILESc1csc(-c2nccn2Cc2cscn2)n1
InChIInChI=1S/C10H8N4S2/c1-3-14(5-8-6-15-7-13-8)9(11-1)10-12-2-4-16-10/h1-4,6-7H,5H2
InChIKeyRCFWOFBRQMMQGH-UHFFFAOYSA-N
XLogP2.51
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.34
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-[3-[1-(1,3-thiazol-4-ylmethyl)pyrazol-3-yl]phenyl]-1,3-thiazole
CID 29219201
4-methyl-5-[[4-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]methyl]-1,3-thiazole
CID 72844706
3-(1,3-thiazol-4-ylmethyl)-1H-imidazole-2-thione
CID 63831917
1-(1,3-thiazol-4-ylmethyl)pyridin-2-one
CID 115582456
4-[2-[2-(1-methylpyrazol-3-yl)imidazol-1-yl]ethyl]-1,3-thiazole
CID 155916480
1-[2-[2-(1,3-thiazol-2-yl)imidazol-1-yl]ethyl]imidazolidin-2-one
CID 155915665
4-[[2-(1-pyrimidin-2-ylpiperidin-4-yl)imidazol-1-yl]methyl]-1,3-thiazole
CID 70744946
4-(indol-1-ylmethyl)-1,3-thiazole
CID 22397295
2-[1-[(1-ethyl-5-fluoro-6-methylbenzimidazol-2-yl)methyl]imidazol-2-yl]-1,3-thiazole
CID 20811947
2-[1-[[3-(2,2,2-trifluoroethyl)imidazo[4,5-b]pyridin-2-yl]methyl]imidazol-2-yl]-1,3-thiazole
CID 20812124
2-propan-2-yl-4-[(2-thiophen-2-ylimidazol-1-yl)methyl]-1,3-thiazole
CID 115917986
N,4-dimethyl-1-(1,3-thiazol-4-ylmethyl)imidazol-2-amine
CID 106572508

Frequently Asked Questions

What is the IUPAC name of 2-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]-1,3-thiazole?
The IUPAC name of 2-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]-1,3-thiazole (CID 155915530) is 2-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]-1,3-thiazole.
What is the SMILES notation for 2-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]-1,3-thiazole?
The canonical SMILES for 2-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]-1,3-thiazole is c1csc(-c2nccn2Cc2cscn2)n1.
What is the InChIKey of 2-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]-1,3-thiazole?
The InChIKey is RCFWOFBRQMMQGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N4S2/c1-3-14(5-8-6-15-7-13-8)9(11-1)10-12-2-4-16-10/h1-4,6-7H,5H2.
What are the key properties of 2-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]-1,3-thiazole?
2-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]-1,3-thiazole has a molecular weight of 248.34 g/mol, XLogP of 2.51, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]-1,3-thiazole is sourced from PubChem (CID 155915530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).