2-(1-propan-2-ylimidazol-4-yl)-1,3-thiazole

C9H11N3S — CID 58415724

IUPAC2-(1-propan-2-ylimidazol-4-yl)-1,3-thiazole
SMILESCC(C)n1cnc(-c2nccs2)c1
InChIInChI=1S/C9H11N3S/c1-7(2)12-5-8(11-6-12)9-10-3-4-13-9/h3-7H,1-2H3
InChIKeyGEPMNEZXOWDULJ-UHFFFAOYSA-N
MW193.28 g/mol
LogP2.59
Rot. Bonds2

About 2-(1-propan-2-ylimidazol-4-yl)-1,3-thiazole

2-(1-propan-2-ylimidazol-4-yl)-1,3-thiazole (PubChem CID 58415724) has the molecular formula C9H11N3S and a molecular weight of 193.28 g/mol. Its IUPAC name is 2-(1-propan-2-ylimidazol-4-yl)-1,3-thiazole.

Molecular Properties

Compound Name2-(1-propan-2-ylimidazol-4-yl)-1,3-thiazole
PubChem CID58415724
Molecular FormulaC9H11N3S
Molecular Weight193.28 g/mol
Exact Mass193.07
IUPAC Name2-(1-propan-2-ylimidazol-4-yl)-1,3-thiazole
SMILESCC(C)n1cnc(-c2nccs2)c1
InChIInChI=1S/C9H11N3S/c1-7(2)12-5-8(11-6-12)9-10-3-4-13-9/h3-7H,1-2H3
InChIKeyGEPMNEZXOWDULJ-UHFFFAOYSA-N
XLogP2.59
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 ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(1-propan-2-ylimidazol-4-yl)-1,3-thiazole?
The IUPAC name of 2-(1-propan-2-ylimidazol-4-yl)-1,3-thiazole (CID 58415724) is 2-(1-propan-2-ylimidazol-4-yl)-1,3-thiazole.
What is the SMILES notation for 2-(1-propan-2-ylimidazol-4-yl)-1,3-thiazole?
The canonical SMILES for 2-(1-propan-2-ylimidazol-4-yl)-1,3-thiazole is CC(C)n1cnc(-c2nccs2)c1.
What is the InChIKey of 2-(1-propan-2-ylimidazol-4-yl)-1,3-thiazole?
The InChIKey is GEPMNEZXOWDULJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3S/c1-7(2)12-5-8(11-6-12)9-10-3-4-13-9/h3-7H,1-2H3.
What are the key properties of 2-(1-propan-2-ylimidazol-4-yl)-1,3-thiazole?
2-(1-propan-2-ylimidazol-4-yl)-1,3-thiazole has a molecular weight of 193.28 g/mol, XLogP of 2.59, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-propan-2-ylimidazol-4-yl)-1,3-thiazole is sourced from PubChem (CID 58415724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).