2-propan-2-yl-4-[(2-thiophen-2-ylimidazol-1-yl)methyl]-1,3-thiazole

C14H15N3S2 — CID 115917986

IUPAC2-propan-2-yl-4-[(2-thiophen-2-ylimidazol-1-yl)methyl]-1,3-thiazole
SMILESCC(C)c1nc(Cn2ccnc2-c2cccs2)cs1
InChIInChI=1S/C14H15N3S2/c1-10(2)14-16-11(9-19-14)8-17-6-5-15-13(17)12-4-3-7-18-12/h3-7,9-10H,8H2,1-2H3
InChIKeyOZPJBDURCNBWPB-UHFFFAOYSA-N
MW289.43 g/mol
LogP4.24
Rot. Bonds4

About 2-propan-2-yl-4-[(2-thiophen-2-ylimidazol-1-yl)methyl]-1,3-thiazole

2-propan-2-yl-4-[(2-thiophen-2-ylimidazol-1-yl)methyl]-1,3-thiazole (PubChem CID 115917986) has the molecular formula C14H15N3S2 and a molecular weight of 289.43 g/mol. Its IUPAC name is 2-propan-2-yl-4-[(2-thiophen-2-ylimidazol-1-yl)methyl]-1,3-thiazole.

Molecular Properties

Compound Name2-propan-2-yl-4-[(2-thiophen-2-ylimidazol-1-yl)methyl]-1,3-thiazole
PubChem CID115917986
Molecular FormulaC14H15N3S2
Molecular Weight289.43 g/mol
Exact Mass289.07
IUPAC Name2-propan-2-yl-4-[(2-thiophen-2-ylimidazol-1-yl)methyl]-1,3-thiazole
SMILESCC(C)c1nc(Cn2ccnc2-c2cccs2)cs1
InChIInChI=1S/C14H15N3S2/c1-10(2)14-16-11(9-19-14)8-17-6-5-15-13(17)12-4-3-7-18-12/h3-7,9-10H,8H2,1-2H3
InChIKeyOZPJBDURCNBWPB-UHFFFAOYSA-N
XLogP4.24
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.43
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-propan-2-yl-4-[(2-thiophen-2-ylimidazol-1-yl)methyl]-1,3-thiazole?
The IUPAC name of 2-propan-2-yl-4-[(2-thiophen-2-ylimidazol-1-yl)methyl]-1,3-thiazole (CID 115917986) is 2-propan-2-yl-4-[(2-thiophen-2-ylimidazol-1-yl)methyl]-1,3-thiazole.
What is the SMILES notation for 2-propan-2-yl-4-[(2-thiophen-2-ylimidazol-1-yl)methyl]-1,3-thiazole?
The canonical SMILES for 2-propan-2-yl-4-[(2-thiophen-2-ylimidazol-1-yl)methyl]-1,3-thiazole is CC(C)c1nc(Cn2ccnc2-c2cccs2)cs1.
What is the InChIKey of 2-propan-2-yl-4-[(2-thiophen-2-ylimidazol-1-yl)methyl]-1,3-thiazole?
The InChIKey is OZPJBDURCNBWPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3S2/c1-10(2)14-16-11(9-19-14)8-17-6-5-15-13(17)12-4-3-7-18-12/h3-7,9-10H,8H2,1-2H3.
What are the key properties of 2-propan-2-yl-4-[(2-thiophen-2-ylimidazol-1-yl)methyl]-1,3-thiazole?
2-propan-2-yl-4-[(2-thiophen-2-ylimidazol-1-yl)methyl]-1,3-thiazole has a molecular weight of 289.43 g/mol, XLogP of 4.24, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-yl-4-[(2-thiophen-2-ylimidazol-1-yl)methyl]-1,3-thiazole is sourced from PubChem (CID 115917986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).