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

C9H11N3S — CID 10559697

IUPAC4-(1H-imidazol-5-ylmethyl)-2,5-dimethyl-1,3-thiazole
SMILESCc1nc(Cc2cnc[nH]2)c(C)s1
InChIInChI=1S/C9H11N3S/c1-6-9(12-7(2)13-6)3-8-4-10-5-11-8/h4-5H,3H2,1-2H3,(H,10,11)
InChIKeyVUQCASYMUPNGSV-UHFFFAOYSA-N
MW193.28 g/mol
LogP2.07
Rot. Bonds2

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

4-(1H-imidazol-5-ylmethyl)-2,5-dimethyl-1,3-thiazole (PubChem CID 10559697) has the molecular formula C9H11N3S and a molecular weight of 193.28 g/mol. Its IUPAC name is 4-(1H-imidazol-5-ylmethyl)-2,5-dimethyl-1,3-thiazole.

Molecular Properties

Compound Name4-(1H-imidazol-5-ylmethyl)-2,5-dimethyl-1,3-thiazole
PubChem CID10559697
Molecular FormulaC9H11N3S
Molecular Weight193.28 g/mol
Exact Mass193.07
IUPAC Name4-(1H-imidazol-5-ylmethyl)-2,5-dimethyl-1,3-thiazole
SMILESCc1nc(Cc2cnc[nH]2)c(C)s1
InChIInChI=1S/C9H11N3S/c1-6-9(12-7(2)13-6)3-8-4-10-5-11-8/h4-5H,3H2,1-2H3,(H,10,11)
InChIKeyVUQCASYMUPNGSV-UHFFFAOYSA-N
XLogP2.07
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.28
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(1H-imidazol-5-ylmethyl)-2,5-dimethyl-1,3-thiazole?
The IUPAC name of 4-(1H-imidazol-5-ylmethyl)-2,5-dimethyl-1,3-thiazole (CID 10559697) is 4-(1H-imidazol-5-ylmethyl)-2,5-dimethyl-1,3-thiazole.
What is the SMILES notation for 4-(1H-imidazol-5-ylmethyl)-2,5-dimethyl-1,3-thiazole?
The canonical SMILES for 4-(1H-imidazol-5-ylmethyl)-2,5-dimethyl-1,3-thiazole is Cc1nc(Cc2cnc[nH]2)c(C)s1.
What is the InChIKey of 4-(1H-imidazol-5-ylmethyl)-2,5-dimethyl-1,3-thiazole?
The InChIKey is VUQCASYMUPNGSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3S/c1-6-9(12-7(2)13-6)3-8-4-10-5-11-8/h4-5H,3H2,1-2H3,(H,10,11).
What are the key properties of 4-(1H-imidazol-5-ylmethyl)-2,5-dimethyl-1,3-thiazole?
4-(1H-imidazol-5-ylmethyl)-2,5-dimethyl-1,3-thiazole has a molecular weight of 193.28 g/mol, XLogP of 2.07, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1H-imidazol-5-ylmethyl)-2,5-dimethyl-1,3-thiazole is sourced from PubChem (CID 10559697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).