2-(3-methoxyphenyl)-4-[[5-(4-methylphenyl)tetrazol-2-yl]methyl]-1,3-thiazole

C19H17N5OS — CID 46582916

IUPAC2-(3-methoxyphenyl)-4-[[5-(4-methylphenyl)tetrazol-2-yl]methyl]-1,3-thiazole
SMILESCOc1cccc(-c2nc(Cn3nnc(-c4ccc(C)cc4)n3)cs2)c1
InChIInChI=1S/C19H17N5OS/c1-13-6-8-14(9-7-13)18-21-23-24(22-18)11-16-12-26-19(20-16)15-4-3-5-17(10-15)25-2/h3-10,12H,11H2,1-2H3
InChIKeyRLYKXHMZYWOURF-UHFFFAOYSA-N
MW363.45 g/mol
LogP3.83
Rot. Bonds5

About 2-(3-methoxyphenyl)-4-[[5-(4-methylphenyl)tetrazol-2-yl]methyl]-1,3-thiazole

2-(3-methoxyphenyl)-4-[[5-(4-methylphenyl)tetrazol-2-yl]methyl]-1,3-thiazole (PubChem CID 46582916) has the molecular formula C19H17N5OS and a molecular weight of 363.45 g/mol. Its IUPAC name is 2-(3-methoxyphenyl)-4-[[5-(4-methylphenyl)tetrazol-2-yl]methyl]-1,3-thiazole.

Molecular Properties

Compound Name2-(3-methoxyphenyl)-4-[[5-(4-methylphenyl)tetrazol-2-yl]methyl]-1,3-thiazole
PubChem CID46582916
Molecular FormulaC19H17N5OS
Molecular Weight363.45 g/mol
Exact Mass363.12
IUPAC Name2-(3-methoxyphenyl)-4-[[5-(4-methylphenyl)tetrazol-2-yl]methyl]-1,3-thiazole
SMILESCOc1cccc(-c2nc(Cn3nnc(-c4ccc(C)cc4)n3)cs2)c1
InChIInChI=1S/C19H17N5OS/c1-13-6-8-14(9-7-13)18-21-23-24(22-18)11-16-12-26-19(20-16)15-4-3-5-17(10-15)25-2/h3-10,12H,11H2,1-2H3
InChIKeyRLYKXHMZYWOURF-UHFFFAOYSA-N
XLogP3.83
TPSA65.72 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.45
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

2-(4-ethylphenyl)-4-[(5-phenyltetrazol-2-yl)methyl]-1,3-thiazole
CID 8684946
4-[[4-(3-methoxyphenyl)piperazin-1-yl]methyl]-2-(4-methylphenyl)-1,3-thiazole
CID 22199471
2-(4-fluorophenyl)-4-[[5-(4-fluorophenyl)tetrazol-2-yl]methyl]-1,3-thiazole
CID 16610877
3-(4-chlorophenyl)-5-[[5-(3-methoxyphenyl)tetrazol-2-yl]methyl]-1,2,4-oxadiazole
CID 17497344
1-[[2-(3-methoxyphenyl)-1,3-thiazol-4-yl]methyl]piperidin-4-one
CID 8934402
4-[[4-[(3-methoxyphenyl)methyl]piperazin-1-yl]methyl]-2-(3-methylphenyl)-1,3-thiazole
CID 17375794
4-(2-chloroethyl)-2-(3-methoxyphenyl)-1,3-thiazole
CID 82088342
2-(3-methoxyphenyl)-4-(2-methylpropyl)-1,3-thiazole
CID 146521628
4-[(5-phenyltetrazol-2-yl)methyl]-2-thiophen-3-yl-1,3-thiazole
CID 35416899
2-(3-bromophenyl)-4-[[5-(3-fluorophenyl)tetrazol-2-yl]methyl]-1,3-thiazole
CID 16611662
2-(3-methoxyphenyl)-4-[[5-(4-methoxyphenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanylmethyl]-1,3-thiazole
CID 42989865
1-[2-(3-methoxyphenyl)-1,3-thiazol-4-yl]propan-2-ol
CID 115089431

Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxyphenyl)-4-[[5-(4-methylphenyl)tetrazol-2-yl]methyl]-1,3-thiazole?
The IUPAC name of 2-(3-methoxyphenyl)-4-[[5-(4-methylphenyl)tetrazol-2-yl]methyl]-1,3-thiazole (CID 46582916) is 2-(3-methoxyphenyl)-4-[[5-(4-methylphenyl)tetrazol-2-yl]methyl]-1,3-thiazole.
What is the SMILES notation for 2-(3-methoxyphenyl)-4-[[5-(4-methylphenyl)tetrazol-2-yl]methyl]-1,3-thiazole?
The canonical SMILES for 2-(3-methoxyphenyl)-4-[[5-(4-methylphenyl)tetrazol-2-yl]methyl]-1,3-thiazole is COc1cccc(-c2nc(Cn3nnc(-c4ccc(C)cc4)n3)cs2)c1.
What is the InChIKey of 2-(3-methoxyphenyl)-4-[[5-(4-methylphenyl)tetrazol-2-yl]methyl]-1,3-thiazole?
The InChIKey is RLYKXHMZYWOURF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N5OS/c1-13-6-8-14(9-7-13)18-21-23-24(22-18)11-16-12-26-19(20-16)15-4-3-5-17(10-15)25-2/h3-10,12H,11H2,1-2H3.
What are the key properties of 2-(3-methoxyphenyl)-4-[[5-(4-methylphenyl)tetrazol-2-yl]methyl]-1,3-thiazole?
2-(3-methoxyphenyl)-4-[[5-(4-methylphenyl)tetrazol-2-yl]methyl]-1,3-thiazole has a molecular weight of 363.45 g/mol, XLogP of 3.83, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxyphenyl)-4-[[5-(4-methylphenyl)tetrazol-2-yl]methyl]-1,3-thiazole is sourced from PubChem (CID 46582916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).