4-(2,6-dimethoxyphenyl)-2-[(5-methyl-1H-imidazol-4-yl)methyl]-1,3-thiazole

C16H17N3O2S — CID 14742543

IUPAC4-(2,6-dimethoxyphenyl)-2-[(5-methyl-1H-imidazol-4-yl)methyl]-1,3-thiazole
SMILESCOc1cccc(OC)c1-c1csc(Cc2nc[nH]c2C)n1
InChIInChI=1S/C16H17N3O2S/c1-10-11(18-9-17-10)7-15-19-12(8-22-15)16-13(20-2)5-4-6-14(16)21-3/h4-6,8-9H,7H2,1-3H3,(H,17,18)
InChIKeyAROKPBRGMUMVQW-UHFFFAOYSA-N
MW315.40 g/mol
LogP3.45
Rot. Bonds5

About 4-(2,6-dimethoxyphenyl)-2-[(5-methyl-1H-imidazol-4-yl)methyl]-1,3-thiazole

4-(2,6-dimethoxyphenyl)-2-[(5-methyl-1H-imidazol-4-yl)methyl]-1,3-thiazole (PubChem CID 14742543) has the molecular formula C16H17N3O2S and a molecular weight of 315.40 g/mol. Its IUPAC name is 4-(2,6-dimethoxyphenyl)-2-[(5-methyl-1H-imidazol-4-yl)methyl]-1,3-thiazole.

Molecular Properties

Compound Name4-(2,6-dimethoxyphenyl)-2-[(5-methyl-1H-imidazol-4-yl)methyl]-1,3-thiazole
PubChem CID14742543
Molecular FormulaC16H17N3O2S
Molecular Weight315.40 g/mol
Exact Mass315.10
IUPAC Name4-(2,6-dimethoxyphenyl)-2-[(5-methyl-1H-imidazol-4-yl)methyl]-1,3-thiazole
SMILESCOc1cccc(OC)c1-c1csc(Cc2nc[nH]c2C)n1
InChIInChI=1S/C16H17N3O2S/c1-10-11(18-9-17-10)7-15-19-12(8-22-15)16-13(20-2)5-4-6-14(16)21-3/h4-6,8-9H,7H2,1-3H3,(H,17,18)
InChIKeyAROKPBRGMUMVQW-UHFFFAOYSA-N
XLogP3.45
TPSA60.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.40
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(2-Methoxyphenyl)-2-(4(5)-methyl-5(4)-imidazolylmethyl)thiazole
CID 3035572
4-(2-ethoxyphenyl)-2-[(5-methyl-1H-imidazol-4-yl)methyl]-1,3-thiazole
CID 14742529
2-(1H-imidazol-5-ylmethyl)-4-(2-methoxyphenyl)-1,3-thiazole
CID 14742546
4-(4-methoxyphenyl)-2-[(5-methyl-1H-imidazol-4-yl)methyl]-1,3-thiazole
CID 14722781
2-[2-[(5-methyl-1H-imidazol-4-yl)methyl]-1,3-thiazol-4-yl]phenol
CID 14742530
4-(3-methoxyphenyl)-2-[(5-methyl-1H-imidazol-4-yl)methyl]-1,3-thiazole
CID 14742534
4-(1-methoxynaphthalen-2-yl)-2-[(5-methyl-1H-imidazol-4-yl)methyl]-1,3-thiazole
CID 14742541
4-(2-methoxynaphthalen-1-yl)-2-[(5-methyl-1H-imidazol-4-yl)methyl]-1,3-thiazole
CID 14742542
4-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-1H-imidazol-5-amine
CID 1497191
5-(2,6-dimethoxyphenyl)-N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-1,2,4-triazin-3-amine
CID 25376933
5-(2,6-dimethoxyphenyl)-N-[1-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]-1,2,4-triazin-3-amine
CID 68561890
N-[[5-[2-[[N'-[2-(2-methoxyphenyl)ethyl]carbamimidoyl]amino]-1,3-thiazol-4-yl]-1H-imidazol-2-yl]methyl]acetamide
CID 11004203

Frequently Asked Questions

What is the IUPAC name of 4-(2,6-dimethoxyphenyl)-2-[(5-methyl-1H-imidazol-4-yl)methyl]-1,3-thiazole?
The IUPAC name of 4-(2,6-dimethoxyphenyl)-2-[(5-methyl-1H-imidazol-4-yl)methyl]-1,3-thiazole (CID 14742543) is 4-(2,6-dimethoxyphenyl)-2-[(5-methyl-1H-imidazol-4-yl)methyl]-1,3-thiazole.
What is the SMILES notation for 4-(2,6-dimethoxyphenyl)-2-[(5-methyl-1H-imidazol-4-yl)methyl]-1,3-thiazole?
The canonical SMILES for 4-(2,6-dimethoxyphenyl)-2-[(5-methyl-1H-imidazol-4-yl)methyl]-1,3-thiazole is COc1cccc(OC)c1-c1csc(Cc2nc[nH]c2C)n1.
What is the InChIKey of 4-(2,6-dimethoxyphenyl)-2-[(5-methyl-1H-imidazol-4-yl)methyl]-1,3-thiazole?
The InChIKey is AROKPBRGMUMVQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O2S/c1-10-11(18-9-17-10)7-15-19-12(8-22-15)16-13(20-2)5-4-6-14(16)21-3/h4-6,8-9H,7H2,1-3H3,(H,17,18).
What are the key properties of 4-(2,6-dimethoxyphenyl)-2-[(5-methyl-1H-imidazol-4-yl)methyl]-1,3-thiazole?
4-(2,6-dimethoxyphenyl)-2-[(5-methyl-1H-imidazol-4-yl)methyl]-1,3-thiazole has a molecular weight of 315.40 g/mol, XLogP of 3.45, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,6-dimethoxyphenyl)-2-[(5-methyl-1H-imidazol-4-yl)methyl]-1,3-thiazole is sourced from PubChem (CID 14742543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).