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

C9H11N3S — CID 10465209

IUPAC5-(1H-imidazol-5-ylmethyl)-2,4-dimethyl-1,3-thiazole
SMILESCc1nc(C)c(Cc2cnc[nH]2)s1
InChIInChI=1S/C9H11N3S/c1-6-9(13-7(2)12-6)3-8-4-10-5-11-8/h4-5H,3H2,1-2H3,(H,10,11)
InChIKeyPYUCQNFKWWNIKA-UHFFFAOYSA-N
MW193.28 g/mol
LogP2.07
Rot. Bonds2

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

5-(1H-imidazol-5-ylmethyl)-2,4-dimethyl-1,3-thiazole (PubChem CID 10465209) has the molecular formula C9H11N3S and a molecular weight of 193.28 g/mol. Its IUPAC name is 5-(1H-imidazol-5-ylmethyl)-2,4-dimethyl-1,3-thiazole.

Molecular Properties

Compound Name5-(1H-imidazol-5-ylmethyl)-2,4-dimethyl-1,3-thiazole
PubChem CID10465209
Molecular FormulaC9H11N3S
Molecular Weight193.28 g/mol
Exact Mass193.07
IUPAC Name5-(1H-imidazol-5-ylmethyl)-2,4-dimethyl-1,3-thiazole
SMILESCc1nc(C)c(Cc2cnc[nH]2)s1
InChIInChI=1S/C9H11N3S/c1-6-9(13-7(2)12-6)3-8-4-10-5-11-8/h4-5H,3H2,1-2H3,(H,10,11)
InChIKeyPYUCQNFKWWNIKA-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 5-(1H-imidazol-5-ylmethyl)-2,4-dimethyl-1,3-thiazole?
The IUPAC name of 5-(1H-imidazol-5-ylmethyl)-2,4-dimethyl-1,3-thiazole (CID 10465209) is 5-(1H-imidazol-5-ylmethyl)-2,4-dimethyl-1,3-thiazole.
What is the SMILES notation for 5-(1H-imidazol-5-ylmethyl)-2,4-dimethyl-1,3-thiazole?
The canonical SMILES for 5-(1H-imidazol-5-ylmethyl)-2,4-dimethyl-1,3-thiazole is Cc1nc(C)c(Cc2cnc[nH]2)s1.
What is the InChIKey of 5-(1H-imidazol-5-ylmethyl)-2,4-dimethyl-1,3-thiazole?
The InChIKey is PYUCQNFKWWNIKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3S/c1-6-9(13-7(2)12-6)3-8-4-10-5-11-8/h4-5H,3H2,1-2H3,(H,10,11).
What are the key properties of 5-(1H-imidazol-5-ylmethyl)-2,4-dimethyl-1,3-thiazole?
5-(1H-imidazol-5-ylmethyl)-2,4-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 5-(1H-imidazol-5-ylmethyl)-2,4-dimethyl-1,3-thiazole is sourced from PubChem (CID 10465209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).