4-[3-[5-[2-(2-ethyl-3-methylimidazol-4-yl)ethyl]-1-methylpyrazol-3-yl]propyl]-2-methyl-1,3-thiazole

C19H27N5S — CID 129095102

IUPAC4-[3-[5-[2-(2-ethyl-3-methylimidazol-4-yl)ethyl]-1-methylpyrazol-3-yl]propyl]-2-methyl-1,3-thiazole
SMILESCCc1ncc(CCc2cc(CCCc3csc(C)n3)nn2C)n1C
InChIInChI=1S/C19H27N5S/c1-5-19-20-12-18(23(19)3)10-9-17-11-15(22-24(17)4)7-6-8-16-13-25-14(2)21-16/h11-13H,5-10H2,1-4H3
InChIKeyHVJWBTHTAJCXDX-UHFFFAOYSA-N
MW357.53 g/mol
LogP3.44
Rot. Bonds8

About 4-[3-[5-[2-(2-ethyl-3-methylimidazol-4-yl)ethyl]-1-methylpyrazol-3-yl]propyl]-2-methyl-1,3-thiazole

4-[3-[5-[2-(2-ethyl-3-methylimidazol-4-yl)ethyl]-1-methylpyrazol-3-yl]propyl]-2-methyl-1,3-thiazole (PubChem CID 129095102) has the molecular formula C19H27N5S and a molecular weight of 357.53 g/mol. Its IUPAC name is 4-[3-[5-[2-(2-ethyl-3-methylimidazol-4-yl)ethyl]-1-methylpyrazol-3-yl]propyl]-2-methyl-1,3-thiazole.

Molecular Properties

Compound Name4-[3-[5-[2-(2-ethyl-3-methylimidazol-4-yl)ethyl]-1-methylpyrazol-3-yl]propyl]-2-methyl-1,3-thiazole
PubChem CID129095102
Molecular FormulaC19H27N5S
Molecular Weight357.53 g/mol
Exact Mass357.20
IUPAC Name4-[3-[5-[2-(2-ethyl-3-methylimidazol-4-yl)ethyl]-1-methylpyrazol-3-yl]propyl]-2-methyl-1,3-thiazole
SMILESCCc1ncc(CCc2cc(CCCc3csc(C)n3)nn2C)n1C
InChIInChI=1S/C19H27N5S/c1-5-19-20-12-18(23(19)3)10-9-17-11-15(22-24(17)4)7-6-8-16-13-25-14(2)21-16/h11-13H,5-10H2,1-4H3
InChIKeyHVJWBTHTAJCXDX-UHFFFAOYSA-N
XLogP3.44
TPSA48.53 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.53
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[3-[5-[2-(2-ethyl-3-methylimidazol-4-yl)ethyl]-1-methylpyrazol-3-yl]propyl]-2-methyl-1,3-thiazole?
The IUPAC name of 4-[3-[5-[2-(2-ethyl-3-methylimidazol-4-yl)ethyl]-1-methylpyrazol-3-yl]propyl]-2-methyl-1,3-thiazole (CID 129095102) is 4-[3-[5-[2-(2-ethyl-3-methylimidazol-4-yl)ethyl]-1-methylpyrazol-3-yl]propyl]-2-methyl-1,3-thiazole.
What is the SMILES notation for 4-[3-[5-[2-(2-ethyl-3-methylimidazol-4-yl)ethyl]-1-methylpyrazol-3-yl]propyl]-2-methyl-1,3-thiazole?
The canonical SMILES for 4-[3-[5-[2-(2-ethyl-3-methylimidazol-4-yl)ethyl]-1-methylpyrazol-3-yl]propyl]-2-methyl-1,3-thiazole is CCc1ncc(CCc2cc(CCCc3csc(C)n3)nn2C)n1C.
What is the InChIKey of 4-[3-[5-[2-(2-ethyl-3-methylimidazol-4-yl)ethyl]-1-methylpyrazol-3-yl]propyl]-2-methyl-1,3-thiazole?
The InChIKey is HVJWBTHTAJCXDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N5S/c1-5-19-20-12-18(23(19)3)10-9-17-11-15(22-24(17)4)7-6-8-16-13-25-14(2)21-16/h11-13H,5-10H2,1-4H3.
What are the key properties of 4-[3-[5-[2-(2-ethyl-3-methylimidazol-4-yl)ethyl]-1-methylpyrazol-3-yl]propyl]-2-methyl-1,3-thiazole?
4-[3-[5-[2-(2-ethyl-3-methylimidazol-4-yl)ethyl]-1-methylpyrazol-3-yl]propyl]-2-methyl-1,3-thiazole has a molecular weight of 357.53 g/mol, XLogP of 3.44, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[5-[2-(2-ethyl-3-methylimidazol-4-yl)ethyl]-1-methylpyrazol-3-yl]propyl]-2-methyl-1,3-thiazole is sourced from PubChem (CID 129095102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).