5-ethyl-2-(1H-imidazol-5-ylmethyl)-4-methyl-1,3-thiazole

C10H13N3S — CID 10679850

IUPAC5-ethyl-2-(1H-imidazol-5-ylmethyl)-4-methyl-1,3-thiazole
SMILESCCc1sc(Cc2cnc[nH]2)nc1C
InChIInChI=1S/C10H13N3S/c1-3-9-7(2)13-10(14-9)4-8-5-11-6-12-8/h5-6H,3-4H2,1-2H3,(H,11,12)
InChIKeyFDTWOCAFXMIOCT-UHFFFAOYSA-N
MW207.30 g/mol
LogP2.33
Rot. Bonds3

About 5-ethyl-2-(1H-imidazol-5-ylmethyl)-4-methyl-1,3-thiazole

5-ethyl-2-(1H-imidazol-5-ylmethyl)-4-methyl-1,3-thiazole (PubChem CID 10679850) has the molecular formula C10H13N3S and a molecular weight of 207.30 g/mol. Its IUPAC name is 5-ethyl-2-(1H-imidazol-5-ylmethyl)-4-methyl-1,3-thiazole.

Molecular Properties

Compound Name5-ethyl-2-(1H-imidazol-5-ylmethyl)-4-methyl-1,3-thiazole
PubChem CID10679850
Molecular FormulaC10H13N3S
Molecular Weight207.30 g/mol
Exact Mass207.08
IUPAC Name5-ethyl-2-(1H-imidazol-5-ylmethyl)-4-methyl-1,3-thiazole
SMILESCCc1sc(Cc2cnc[nH]2)nc1C
InChIInChI=1S/C10H13N3S/c1-3-9-7(2)13-10(14-9)4-8-5-11-6-12-8/h5-6H,3-4H2,1-2H3,(H,11,12)
InChIKeyFDTWOCAFXMIOCT-UHFFFAOYSA-N
XLogP2.33
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.30
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-2-(1H-imidazol-5-ylmethyl)-4-methyl-1,3-thiazole?
The IUPAC name of 5-ethyl-2-(1H-imidazol-5-ylmethyl)-4-methyl-1,3-thiazole (CID 10679850) is 5-ethyl-2-(1H-imidazol-5-ylmethyl)-4-methyl-1,3-thiazole.
What is the SMILES notation for 5-ethyl-2-(1H-imidazol-5-ylmethyl)-4-methyl-1,3-thiazole?
The canonical SMILES for 5-ethyl-2-(1H-imidazol-5-ylmethyl)-4-methyl-1,3-thiazole is CCc1sc(Cc2cnc[nH]2)nc1C.
What is the InChIKey of 5-ethyl-2-(1H-imidazol-5-ylmethyl)-4-methyl-1,3-thiazole?
The InChIKey is FDTWOCAFXMIOCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3S/c1-3-9-7(2)13-10(14-9)4-8-5-11-6-12-8/h5-6H,3-4H2,1-2H3,(H,11,12).
What are the key properties of 5-ethyl-2-(1H-imidazol-5-ylmethyl)-4-methyl-1,3-thiazole?
5-ethyl-2-(1H-imidazol-5-ylmethyl)-4-methyl-1,3-thiazole has a molecular weight of 207.30 g/mol, XLogP of 2.33, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-2-(1H-imidazol-5-ylmethyl)-4-methyl-1,3-thiazole is sourced from PubChem (CID 10679850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).