2-(1H-imidazol-5-ylmethyl)-4-(2-methoxyphenyl)-1,3-thiazole

C14H13N3OS — CID 14742546

IUPAC2-(1H-imidazol-5-ylmethyl)-4-(2-methoxyphenyl)-1,3-thiazole
SMILESCOc1ccccc1-c1csc(Cc2cnc[nH]2)n1
InChIInChI=1S/C14H13N3OS/c1-18-13-5-3-2-4-11(13)12-8-19-14(17-12)6-10-7-15-9-16-10/h2-5,7-9H,6H2,1H3,(H,15,16)
InChIKeyZUWYMRWYZWOOJW-UHFFFAOYSA-N
MW271.35 g/mol
LogP3.13
Rot. Bonds4

About 2-(1H-imidazol-5-ylmethyl)-4-(2-methoxyphenyl)-1,3-thiazole

2-(1H-imidazol-5-ylmethyl)-4-(2-methoxyphenyl)-1,3-thiazole (PubChem CID 14742546) has the molecular formula C14H13N3OS and a molecular weight of 271.35 g/mol. Its IUPAC name is 2-(1H-imidazol-5-ylmethyl)-4-(2-methoxyphenyl)-1,3-thiazole.

Molecular Properties

Compound Name2-(1H-imidazol-5-ylmethyl)-4-(2-methoxyphenyl)-1,3-thiazole
PubChem CID14742546
Molecular FormulaC14H13N3OS
Molecular Weight271.35 g/mol
Exact Mass271.08
IUPAC Name2-(1H-imidazol-5-ylmethyl)-4-(2-methoxyphenyl)-1,3-thiazole
SMILESCOc1ccccc1-c1csc(Cc2cnc[nH]2)n1
InChIInChI=1S/C14H13N3OS/c1-18-13-5-3-2-4-11(13)12-8-19-14(17-12)6-10-7-15-9-16-10/h2-5,7-9H,6H2,1H3,(H,15,16)
InChIKeyZUWYMRWYZWOOJW-UHFFFAOYSA-N
XLogP3.13
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.35
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(2-Methoxyphenyl)-2-(4(5)-methyl-5(4)-imidazolylmethyl)thiazole
CID 3035572
1-[(4-methoxyphenyl)methyl]-4-(thiophen-3-yl)-1H-imidazole
CID 6539903
4-(2-ethoxyphenyl)-2-[(5-methyl-1H-imidazol-4-yl)methyl]-1,3-thiazole
CID 14742529
6-(4-Methoxyphenyl)imidazo[2,1-b]thiazole
CID 369507
4-[1-amino-2-(4-methoxyphenyl)ethyl]-N-pyrimidin-2-yl-1,3-thiazol-2-amine
CID 49789957
[4-(4-Methoxy-phenyl)-thiazol-2-yl]-pyridin-3-yl-amine
CID 714205
2-[[5-(4-methoxyphenyl)-2-(4-methylsulfanylphenyl)-1H-imidazol-4-yl]sulfanyl]-N-(1,3-thiazol-2-yl)acetamide
CID 2135781
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

Frequently Asked Questions

What is the IUPAC name of 2-(1H-imidazol-5-ylmethyl)-4-(2-methoxyphenyl)-1,3-thiazole?
The IUPAC name of 2-(1H-imidazol-5-ylmethyl)-4-(2-methoxyphenyl)-1,3-thiazole (CID 14742546) is 2-(1H-imidazol-5-ylmethyl)-4-(2-methoxyphenyl)-1,3-thiazole.
What is the SMILES notation for 2-(1H-imidazol-5-ylmethyl)-4-(2-methoxyphenyl)-1,3-thiazole?
The canonical SMILES for 2-(1H-imidazol-5-ylmethyl)-4-(2-methoxyphenyl)-1,3-thiazole is COc1ccccc1-c1csc(Cc2cnc[nH]2)n1.
What is the InChIKey of 2-(1H-imidazol-5-ylmethyl)-4-(2-methoxyphenyl)-1,3-thiazole?
The InChIKey is ZUWYMRWYZWOOJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3OS/c1-18-13-5-3-2-4-11(13)12-8-19-14(17-12)6-10-7-15-9-16-10/h2-5,7-9H,6H2,1H3,(H,15,16).
What are the key properties of 2-(1H-imidazol-5-ylmethyl)-4-(2-methoxyphenyl)-1,3-thiazole?
2-(1H-imidazol-5-ylmethyl)-4-(2-methoxyphenyl)-1,3-thiazole has a molecular weight of 271.35 g/mol, XLogP of 3.13, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-imidazol-5-ylmethyl)-4-(2-methoxyphenyl)-1,3-thiazole is sourced from PubChem (CID 14742546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).