2-[(5-methyl-1H-imidazol-4-yl)methyl]-4-quinolin-8-yl-1,3-thiazole

C17H14N4S — CID 14722779

IUPAC2-[(5-methyl-1H-imidazol-4-yl)methyl]-4-quinolin-8-yl-1,3-thiazole
SMILESCc1[nH]cnc1Cc1nc(-c2cccc3cccnc23)cs1
InChIInChI=1S/C17H14N4S/c1-11-14(20-10-19-11)8-16-21-15(9-22-16)13-6-2-4-12-5-3-7-18-17(12)13/h2-7,9-10H,8H2,1H3,(H,19,20)
InChIKeyDVTRMRRJKIYJHT-UHFFFAOYSA-N
MW306.39 g/mol
LogP3.98
Rot. Bonds3

About 2-[(5-methyl-1H-imidazol-4-yl)methyl]-4-quinolin-8-yl-1,3-thiazole

2-[(5-methyl-1H-imidazol-4-yl)methyl]-4-quinolin-8-yl-1,3-thiazole (PubChem CID 14722779) has the molecular formula C17H14N4S and a molecular weight of 306.39 g/mol. Its IUPAC name is 2-[(5-methyl-1H-imidazol-4-yl)methyl]-4-quinolin-8-yl-1,3-thiazole.

Molecular Properties

Compound Name2-[(5-methyl-1H-imidazol-4-yl)methyl]-4-quinolin-8-yl-1,3-thiazole
PubChem CID14722779
Molecular FormulaC17H14N4S
Molecular Weight306.39 g/mol
Exact Mass306.09
IUPAC Name2-[(5-methyl-1H-imidazol-4-yl)methyl]-4-quinolin-8-yl-1,3-thiazole
SMILESCc1[nH]cnc1Cc1nc(-c2cccc3cccnc23)cs1
InChIInChI=1S/C17H14N4S/c1-11-14(20-10-19-11)8-16-21-15(9-22-16)13-6-2-4-12-5-3-7-18-17(12)13/h2-7,9-10H,8H2,1H3,(H,19,20)
InChIKeyDVTRMRRJKIYJHT-UHFFFAOYSA-N
XLogP3.98
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.39
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-methyl-1H-imidazol-4-yl)methyl]-4-quinolin-8-yl-1,3-thiazole?
The IUPAC name of 2-[(5-methyl-1H-imidazol-4-yl)methyl]-4-quinolin-8-yl-1,3-thiazole (CID 14722779) is 2-[(5-methyl-1H-imidazol-4-yl)methyl]-4-quinolin-8-yl-1,3-thiazole.
What is the SMILES notation for 2-[(5-methyl-1H-imidazol-4-yl)methyl]-4-quinolin-8-yl-1,3-thiazole?
The canonical SMILES for 2-[(5-methyl-1H-imidazol-4-yl)methyl]-4-quinolin-8-yl-1,3-thiazole is Cc1[nH]cnc1Cc1nc(-c2cccc3cccnc23)cs1.
What is the InChIKey of 2-[(5-methyl-1H-imidazol-4-yl)methyl]-4-quinolin-8-yl-1,3-thiazole?
The InChIKey is DVTRMRRJKIYJHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N4S/c1-11-14(20-10-19-11)8-16-21-15(9-22-16)13-6-2-4-12-5-3-7-18-17(12)13/h2-7,9-10H,8H2,1H3,(H,19,20).
What are the key properties of 2-[(5-methyl-1H-imidazol-4-yl)methyl]-4-quinolin-8-yl-1,3-thiazole?
2-[(5-methyl-1H-imidazol-4-yl)methyl]-4-quinolin-8-yl-1,3-thiazole has a molecular weight of 306.39 g/mol, XLogP of 3.98, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-methyl-1H-imidazol-4-yl)methyl]-4-quinolin-8-yl-1,3-thiazole is sourced from PubChem (CID 14722779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).