4-[[2-[(3R)-oxolan-3-yl]imidazol-1-yl]methyl]-2-propan-2-yl-1,3-thiazole

C14H19N3OS — CID 95563933

IUPAC4-[[2-[(3R)-oxolan-3-yl]imidazol-1-yl]methyl]-2-propan-2-yl-1,3-thiazole
SMILESCC(C)c1nc(Cn2ccnc2[C@H]2CCOC2)cs1
InChIInChI=1S/C14H19N3OS/c1-10(2)14-16-12(9-19-14)7-17-5-4-15-13(17)11-3-6-18-8-11/h4-5,9-11H,3,6-8H2,1-2H3/t11-/m0/s1
InChIKeyGDEHWISONAVCMW-NSHDSACASA-N
MW277.39 g/mol
LogP3.02
Rot. Bonds4

About 4-[[2-[(3R)-oxolan-3-yl]imidazol-1-yl]methyl]-2-propan-2-yl-1,3-thiazole

4-[[2-[(3R)-oxolan-3-yl]imidazol-1-yl]methyl]-2-propan-2-yl-1,3-thiazole (PubChem CID 95563933) has the molecular formula C14H19N3OS and a molecular weight of 277.39 g/mol. Its IUPAC name is 4-[[2-[(3R)-oxolan-3-yl]imidazol-1-yl]methyl]-2-propan-2-yl-1,3-thiazole.

Molecular Properties

Compound Name4-[[2-[(3R)-oxolan-3-yl]imidazol-1-yl]methyl]-2-propan-2-yl-1,3-thiazole
PubChem CID95563933
Molecular FormulaC14H19N3OS
Molecular Weight277.39 g/mol
Exact Mass277.12
IUPAC Name4-[[2-[(3R)-oxolan-3-yl]imidazol-1-yl]methyl]-2-propan-2-yl-1,3-thiazole
SMILESCC(C)c1nc(Cn2ccnc2[C@H]2CCOC2)cs1
InChIInChI=1S/C14H19N3OS/c1-10(2)14-16-12(9-19-14)7-17-5-4-15-13(17)11-3-6-18-8-11/h4-5,9-11H,3,6-8H2,1-2H3/t11-/m0/s1
InChIKeyGDEHWISONAVCMW-NSHDSACASA-N
XLogP3.02
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.39
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[[2-[(3R)-oxolan-3-yl]imidazol-1-yl]methyl]-2-propan-2-yl-1,3-thiazole?
The IUPAC name of 4-[[2-[(3R)-oxolan-3-yl]imidazol-1-yl]methyl]-2-propan-2-yl-1,3-thiazole (CID 95563933) is 4-[[2-[(3R)-oxolan-3-yl]imidazol-1-yl]methyl]-2-propan-2-yl-1,3-thiazole.
What is the SMILES notation for 4-[[2-[(3R)-oxolan-3-yl]imidazol-1-yl]methyl]-2-propan-2-yl-1,3-thiazole?
The canonical SMILES for 4-[[2-[(3R)-oxolan-3-yl]imidazol-1-yl]methyl]-2-propan-2-yl-1,3-thiazole is CC(C)c1nc(Cn2ccnc2[C@H]2CCOC2)cs1.
What is the InChIKey of 4-[[2-[(3R)-oxolan-3-yl]imidazol-1-yl]methyl]-2-propan-2-yl-1,3-thiazole?
The InChIKey is GDEHWISONAVCMW-NSHDSACASA-N. The full InChI is InChI=1S/C14H19N3OS/c1-10(2)14-16-12(9-19-14)7-17-5-4-15-13(17)11-3-6-18-8-11/h4-5,9-11H,3,6-8H2,1-2H3/t11-/m0/s1.
What are the key properties of 4-[[2-[(3R)-oxolan-3-yl]imidazol-1-yl]methyl]-2-propan-2-yl-1,3-thiazole?
4-[[2-[(3R)-oxolan-3-yl]imidazol-1-yl]methyl]-2-propan-2-yl-1,3-thiazole has a molecular weight of 277.39 g/mol, XLogP of 3.02, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-[(3R)-oxolan-3-yl]imidazol-1-yl]methyl]-2-propan-2-yl-1,3-thiazole is sourced from PubChem (CID 95563933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).