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

C9H11N3S — CID 22285692

IUPAC4-(imidazol-1-ylmethyl)-2,5-dimethyl-1,3-thiazole
SMILESCc1nc(Cn2ccnc2)c(C)s1
InChIInChI=1S/C9H11N3S/c1-7-9(11-8(2)13-7)5-12-4-3-10-6-12/h3-4,6H,5H2,1-2H3
InChIKeyZWJYXVUZKGLWGO-UHFFFAOYSA-N
MW193.28 g/mol
LogP2.00
Rot. Bonds2

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

4-(imidazol-1-ylmethyl)-2,5-dimethyl-1,3-thiazole (PubChem CID 22285692) has the molecular formula C9H11N3S and a molecular weight of 193.28 g/mol. Its IUPAC name is 4-(imidazol-1-ylmethyl)-2,5-dimethyl-1,3-thiazole.

Molecular Properties

Compound Name4-(imidazol-1-ylmethyl)-2,5-dimethyl-1,3-thiazole
PubChem CID22285692
Molecular FormulaC9H11N3S
Molecular Weight193.28 g/mol
Exact Mass193.07
IUPAC Name4-(imidazol-1-ylmethyl)-2,5-dimethyl-1,3-thiazole
SMILESCc1nc(Cn2ccnc2)c(C)s1
InChIInChI=1S/C9H11N3S/c1-7-9(11-8(2)13-7)5-12-4-3-10-6-12/h3-4,6H,5H2,1-2H3
InChIKeyZWJYXVUZKGLWGO-UHFFFAOYSA-N
XLogP2.00
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.28
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(imidazol-1-ylmethyl)-2,5-dimethyl-1,3-thiazole?
The IUPAC name of 4-(imidazol-1-ylmethyl)-2,5-dimethyl-1,3-thiazole (CID 22285692) is 4-(imidazol-1-ylmethyl)-2,5-dimethyl-1,3-thiazole.
What is the SMILES notation for 4-(imidazol-1-ylmethyl)-2,5-dimethyl-1,3-thiazole?
The canonical SMILES for 4-(imidazol-1-ylmethyl)-2,5-dimethyl-1,3-thiazole is Cc1nc(Cn2ccnc2)c(C)s1.
What is the InChIKey of 4-(imidazol-1-ylmethyl)-2,5-dimethyl-1,3-thiazole?
The InChIKey is ZWJYXVUZKGLWGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3S/c1-7-9(11-8(2)13-7)5-12-4-3-10-6-12/h3-4,6H,5H2,1-2H3.
What are the key properties of 4-(imidazol-1-ylmethyl)-2,5-dimethyl-1,3-thiazole?
4-(imidazol-1-ylmethyl)-2,5-dimethyl-1,3-thiazole has a molecular weight of 193.28 g/mol, XLogP of 2.00, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(imidazol-1-ylmethyl)-2,5-dimethyl-1,3-thiazole is sourced from PubChem (CID 22285692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).