2-[1-[2-(4-methoxynaphthalen-1-yl)imidazol-1-yl]ethyl]-1,3-thiazole

C19H17N3OS — CID 56757933

IUPAC2-[1-[2-(4-methoxynaphthalen-1-yl)imidazol-1-yl]ethyl]-1,3-thiazole
SMILESCOc1ccc(-c2nccn2C(C)c2nccs2)c2ccccc12
InChIInChI=1S/C19H17N3OS/c1-13(19-21-10-12-24-19)22-11-9-20-18(22)16-7-8-17(23-2)15-6-4-3-5-14(15)16/h3-13H,1-2H3
InChIKeySHLYMADLTITAAS-UHFFFAOYSA-N
MW335.43 g/mol
LogP4.78
Rot. Bonds4

About 2-[1-[2-(4-methoxynaphthalen-1-yl)imidazol-1-yl]ethyl]-1,3-thiazole

2-[1-[2-(4-methoxynaphthalen-1-yl)imidazol-1-yl]ethyl]-1,3-thiazole (PubChem CID 56757933) has the molecular formula C19H17N3OS and a molecular weight of 335.43 g/mol. Its IUPAC name is 2-[1-[2-(4-methoxynaphthalen-1-yl)imidazol-1-yl]ethyl]-1,3-thiazole.

Molecular Properties

Compound Name2-[1-[2-(4-methoxynaphthalen-1-yl)imidazol-1-yl]ethyl]-1,3-thiazole
PubChem CID56757933
Molecular FormulaC19H17N3OS
Molecular Weight335.43 g/mol
Exact Mass335.11
IUPAC Name2-[1-[2-(4-methoxynaphthalen-1-yl)imidazol-1-yl]ethyl]-1,3-thiazole
SMILESCOc1ccc(-c2nccn2C(C)c2nccs2)c2ccccc12
InChIInChI=1S/C19H17N3OS/c1-13(19-21-10-12-24-19)22-11-9-20-18(22)16-7-8-17(23-2)15-6-4-3-5-14(15)16/h3-13H,1-2H3
InChIKeySHLYMADLTITAAS-UHFFFAOYSA-N
XLogP4.78
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.43
LogP ≤ 54.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[1-[2-(2-ethyl-1,2,4-triazol-3-yl)imidazol-1-yl]ethyl]-1,3-thiazole
CID 56748638
2-(2,6-dimethoxyphenoxy)-1,3-thiazole
CID 141204146
2-(2,3-dimethoxyphenyl)-1-[(2R)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]imidazole
CID 95893804
1-[1-(2,6-dimethoxyphenyl)ethyl]-2-methylimidazole
CID 70489774
2-[1-(1-pyridin-3-ylethyl)imidazol-2-yl]-1,3-thiazole
CID 155913617
2,5-dimethyl-N-[1-(1,3-thiazol-2-yl)ethyl]pyrrol-1-amine
CID 79091110
(1S)-1-(2-methoxyphenyl)-N-(1,3-thiazol-2-ylmethyl)ethanamine
CID 81397203
2-methoxy-5-methyl-N-[1-(1,3-thiazol-2-yl)ethyl]aniline
CID 64988281
4-(2-thiophen-2-ylimidazol-1-yl)pentan-2-ol
CID 64719272
8-methoxy-N-[(1S)-1-(1,3-thiazol-2-yl)ethyl]quinolin-4-amine
CID 99838885
N-[(3,4-dimethoxyphenyl)methyl]-1-(1,3-thiazol-2-yl)ethanamine
CID 63599693
3-methoxy-N-[1-(1,3-thiazol-2-yl)ethyl]pyridin-2-amine
CID 115923076

Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-(4-methoxynaphthalen-1-yl)imidazol-1-yl]ethyl]-1,3-thiazole?
The IUPAC name of 2-[1-[2-(4-methoxynaphthalen-1-yl)imidazol-1-yl]ethyl]-1,3-thiazole (CID 56757933) is 2-[1-[2-(4-methoxynaphthalen-1-yl)imidazol-1-yl]ethyl]-1,3-thiazole.
What is the SMILES notation for 2-[1-[2-(4-methoxynaphthalen-1-yl)imidazol-1-yl]ethyl]-1,3-thiazole?
The canonical SMILES for 2-[1-[2-(4-methoxynaphthalen-1-yl)imidazol-1-yl]ethyl]-1,3-thiazole is COc1ccc(-c2nccn2C(C)c2nccs2)c2ccccc12.
What is the InChIKey of 2-[1-[2-(4-methoxynaphthalen-1-yl)imidazol-1-yl]ethyl]-1,3-thiazole?
The InChIKey is SHLYMADLTITAAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3OS/c1-13(19-21-10-12-24-19)22-11-9-20-18(22)16-7-8-17(23-2)15-6-4-3-5-14(15)16/h3-13H,1-2H3.
What are the key properties of 2-[1-[2-(4-methoxynaphthalen-1-yl)imidazol-1-yl]ethyl]-1,3-thiazole?
2-[1-[2-(4-methoxynaphthalen-1-yl)imidazol-1-yl]ethyl]-1,3-thiazole has a molecular weight of 335.43 g/mol, XLogP of 4.78, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-(4-methoxynaphthalen-1-yl)imidazol-1-yl]ethyl]-1,3-thiazole is sourced from PubChem (CID 56757933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).