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

C19H17N3OS — CID 14742541

IUPAC4-(1-methoxynaphthalen-2-yl)-2-[(5-methyl-1H-imidazol-4-yl)methyl]-1,3-thiazole
SMILESCOc1c(-c2csc(Cc3nc[nH]c3C)n2)ccc2ccccc12
InChIInChI=1S/C19H17N3OS/c1-12-16(21-11-20-12)9-18-22-17(10-24-18)15-8-7-13-5-3-4-6-14(13)19(15)23-2/h3-8,10-11H,9H2,1-2H3,(H,20,21)
InChIKeyBYWQMLOYAPDYRQ-UHFFFAOYSA-N
MW335.43 g/mol
LogP4.59
Rot. Bonds4

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

4-(1-methoxynaphthalen-2-yl)-2-[(5-methyl-1H-imidazol-4-yl)methyl]-1,3-thiazole (PubChem CID 14742541) has the molecular formula C19H17N3OS and a molecular weight of 335.43 g/mol. Its IUPAC name is 4-(1-methoxynaphthalen-2-yl)-2-[(5-methyl-1H-imidazol-4-yl)methyl]-1,3-thiazole.

Molecular Properties

Compound Name4-(1-methoxynaphthalen-2-yl)-2-[(5-methyl-1H-imidazol-4-yl)methyl]-1,3-thiazole
PubChem CID14742541
Molecular FormulaC19H17N3OS
Molecular Weight335.43 g/mol
Exact Mass335.11
IUPAC Name4-(1-methoxynaphthalen-2-yl)-2-[(5-methyl-1H-imidazol-4-yl)methyl]-1,3-thiazole
SMILESCOc1c(-c2csc(Cc3nc[nH]c3C)n2)ccc2ccccc12
InChIInChI=1S/C19H17N3OS/c1-12-16(21-11-20-12)9-18-22-17(10-24-18)15-8-7-13-5-3-4-6-14(13)19(15)23-2/h3-8,10-11H,9H2,1-2H3,(H,20,21)
InChIKeyBYWQMLOYAPDYRQ-UHFFFAOYSA-N
XLogP4.59
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.43
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(1-methoxynaphthalen-2-yl)-2-[(5-methyl-1H-imidazol-4-yl)methyl]-1,3-thiazole?
The IUPAC name of 4-(1-methoxynaphthalen-2-yl)-2-[(5-methyl-1H-imidazol-4-yl)methyl]-1,3-thiazole (CID 14742541) is 4-(1-methoxynaphthalen-2-yl)-2-[(5-methyl-1H-imidazol-4-yl)methyl]-1,3-thiazole.
What is the SMILES notation for 4-(1-methoxynaphthalen-2-yl)-2-[(5-methyl-1H-imidazol-4-yl)methyl]-1,3-thiazole?
The canonical SMILES for 4-(1-methoxynaphthalen-2-yl)-2-[(5-methyl-1H-imidazol-4-yl)methyl]-1,3-thiazole is COc1c(-c2csc(Cc3nc[nH]c3C)n2)ccc2ccccc12.
What is the InChIKey of 4-(1-methoxynaphthalen-2-yl)-2-[(5-methyl-1H-imidazol-4-yl)methyl]-1,3-thiazole?
The InChIKey is BYWQMLOYAPDYRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3OS/c1-12-16(21-11-20-12)9-18-22-17(10-24-18)15-8-7-13-5-3-4-6-14(13)19(15)23-2/h3-8,10-11H,9H2,1-2H3,(H,20,21).
What are the key properties of 4-(1-methoxynaphthalen-2-yl)-2-[(5-methyl-1H-imidazol-4-yl)methyl]-1,3-thiazole?
4-(1-methoxynaphthalen-2-yl)-2-[(5-methyl-1H-imidazol-4-yl)methyl]-1,3-thiazole has a molecular weight of 335.43 g/mol, XLogP of 4.59, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-methoxynaphthalen-2-yl)-2-[(5-methyl-1H-imidazol-4-yl)methyl]-1,3-thiazole is sourced from PubChem (CID 14742541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).