5-[5-methyl-5-[2-(3-propan-2-ylpyrazol-1-yl)-1H-imidazol-5-yl]hexan-2-yl]-1,3-thiazole

C19H27N5S — CID 138545682

IUPAC5-[5-methyl-5-[2-(3-propan-2-ylpyrazol-1-yl)-1H-imidazol-5-yl]hexan-2-yl]-1,3-thiazole
SMILESCC(C)c1ccn(-c2ncc(C(C)(C)CCC(C)c3cncs3)[nH]2)n1
InChIInChI=1S/C19H27N5S/c1-13(2)15-7-9-24(23-15)18-21-11-17(22-18)19(4,5)8-6-14(3)16-10-20-12-25-16/h7,9-14H,6,8H2,1-5H3,(H,21,22)
InChIKeyNMOAQWBEHNXIEJ-UHFFFAOYSA-N
MW357.53 g/mol
LogP5.04
Rot. Bonds7

About 5-[5-methyl-5-[2-(3-propan-2-ylpyrazol-1-yl)-1H-imidazol-5-yl]hexan-2-yl]-1,3-thiazole

5-[5-methyl-5-[2-(3-propan-2-ylpyrazol-1-yl)-1H-imidazol-5-yl]hexan-2-yl]-1,3-thiazole (PubChem CID 138545682) has the molecular formula C19H27N5S and a molecular weight of 357.53 g/mol. Its IUPAC name is 5-[5-methyl-5-[2-(3-propan-2-ylpyrazol-1-yl)-1H-imidazol-5-yl]hexan-2-yl]-1,3-thiazole.

Molecular Properties

Compound Name5-[5-methyl-5-[2-(3-propan-2-ylpyrazol-1-yl)-1H-imidazol-5-yl]hexan-2-yl]-1,3-thiazole
PubChem CID138545682
Molecular FormulaC19H27N5S
Molecular Weight357.53 g/mol
Exact Mass357.20
IUPAC Name5-[5-methyl-5-[2-(3-propan-2-ylpyrazol-1-yl)-1H-imidazol-5-yl]hexan-2-yl]-1,3-thiazole
SMILESCC(C)c1ccn(-c2ncc(C(C)(C)CCC(C)c3cncs3)[nH]2)n1
InChIInChI=1S/C19H27N5S/c1-13(2)15-7-9-24(23-15)18-21-11-17(22-18)19(4,5)8-6-14(3)16-10-20-12-25-16/h7,9-14H,6,8H2,1-5H3,(H,21,22)
InChIKeyNMOAQWBEHNXIEJ-UHFFFAOYSA-N
XLogP5.04
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500357.53
LogP ≤ 55.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[5-methyl-5-[2-(3-propan-2-ylpyrazol-1-yl)-1H-imidazol-5-yl]hexan-2-yl]-1,3-thiazole?
The IUPAC name of 5-[5-methyl-5-[2-(3-propan-2-ylpyrazol-1-yl)-1H-imidazol-5-yl]hexan-2-yl]-1,3-thiazole (CID 138545682) is 5-[5-methyl-5-[2-(3-propan-2-ylpyrazol-1-yl)-1H-imidazol-5-yl]hexan-2-yl]-1,3-thiazole.
What is the SMILES notation for 5-[5-methyl-5-[2-(3-propan-2-ylpyrazol-1-yl)-1H-imidazol-5-yl]hexan-2-yl]-1,3-thiazole?
The canonical SMILES for 5-[5-methyl-5-[2-(3-propan-2-ylpyrazol-1-yl)-1H-imidazol-5-yl]hexan-2-yl]-1,3-thiazole is CC(C)c1ccn(-c2ncc(C(C)(C)CCC(C)c3cncs3)[nH]2)n1.
What is the InChIKey of 5-[5-methyl-5-[2-(3-propan-2-ylpyrazol-1-yl)-1H-imidazol-5-yl]hexan-2-yl]-1,3-thiazole?
The InChIKey is NMOAQWBEHNXIEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N5S/c1-13(2)15-7-9-24(23-15)18-21-11-17(22-18)19(4,5)8-6-14(3)16-10-20-12-25-16/h7,9-14H,6,8H2,1-5H3,(H,21,22).
What are the key properties of 5-[5-methyl-5-[2-(3-propan-2-ylpyrazol-1-yl)-1H-imidazol-5-yl]hexan-2-yl]-1,3-thiazole?
5-[5-methyl-5-[2-(3-propan-2-ylpyrazol-1-yl)-1H-imidazol-5-yl]hexan-2-yl]-1,3-thiazole has a molecular weight of 357.53 g/mol, XLogP of 5.04, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-methyl-5-[2-(3-propan-2-ylpyrazol-1-yl)-1H-imidazol-5-yl]hexan-2-yl]-1,3-thiazole is sourced from PubChem (CID 138545682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).