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

C12H11N5OS — CID 21151958

IUPAC2-(2-methoxyphenyl)-4-(2H-tetrazol-5-ylmethyl)-1,3-thiazole
SMILESCOc1ccccc1-c1nc(Cc2nn[nH]n2)cs1
InChIInChI=1S/C12H11N5OS/c1-18-10-5-3-2-4-9(10)12-13-8(7-19-12)6-11-14-16-17-15-11/h2-5,7H,6H2,1H3,(H,14,15,16,17)
InChIKeyJALJGBFNYSWRQQ-UHFFFAOYSA-N
MW273.32 g/mol
LogP1.92
Rot. Bonds4

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

2-(2-methoxyphenyl)-4-(2H-tetrazol-5-ylmethyl)-1,3-thiazole (PubChem CID 21151958) has the molecular formula C12H11N5OS and a molecular weight of 273.32 g/mol. Its IUPAC name is 2-(2-methoxyphenyl)-4-(2H-tetrazol-5-ylmethyl)-1,3-thiazole.

Molecular Properties

Compound Name2-(2-methoxyphenyl)-4-(2H-tetrazol-5-ylmethyl)-1,3-thiazole
PubChem CID21151958
Molecular FormulaC12H11N5OS
Molecular Weight273.32 g/mol
Exact Mass273.07
IUPAC Name2-(2-methoxyphenyl)-4-(2H-tetrazol-5-ylmethyl)-1,3-thiazole
SMILESCOc1ccccc1-c1nc(Cc2nn[nH]n2)cs1
InChIInChI=1S/C12H11N5OS/c1-18-10-5-3-2-4-9(10)12-13-8(7-19-12)6-11-14-16-17-15-11/h2-5,7H,6H2,1H3,(H,14,15,16,17)
InChIKeyJALJGBFNYSWRQQ-UHFFFAOYSA-N
XLogP1.92
TPSA76.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.32
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-(2-bromoethyl)-2-(2-methoxyphenyl)-1,3-thiazole
CID 82094625
4-[(4-fluorophenyl)sulfanylmethyl]-2-(2-methoxyphenyl)-1,3-thiazole
CID 112775383
2-(2,3-dimethoxyphenyl)-4-propyl-1,3-thiazole
CID 145341916
2-[[2-(2-methoxyphenyl)-1,3-thiazol-4-yl]methylsulfanyl]-1,3-benzothiazole
CID 9405825
5-[2-(2-methoxyphenyl)-1,3-thiazol-4-yl]-N-methyl-1,3,4-thiadiazol-2-amine
CID 82516112
4-chloro-2-(2-methoxyphenyl)-1,3-thiazole
CID 83158767
5-[(2-methoxyphenoxy)methyl]-2H-tetrazole
CID 5306162
2-[[2-(2-methoxyphenyl)-1,3-thiazol-4-yl]methyl-methylamino]ethanol
CID 110880723
N-[[2-(2-methoxyphenyl)-1,3-thiazol-4-yl]methyl]cyclopentanamine
CID 82516123
ethyl 2-[2-(2-methoxyphenyl)-1,3-thiazol-4-yl]acetate
CID 15336769
2-(2-methoxyphenyl)-5-[[2-(2-methoxyphenyl)-1,3-thiazol-4-yl]methylsulfanyl]-1,3,4-oxadiazole
CID 112787266
[2-(2-methoxyphenyl)-1,3-thiazol-4-yl]methyl 3,4,5-trimethoxybenzoate
CID 16522456

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyphenyl)-4-(2H-tetrazol-5-ylmethyl)-1,3-thiazole?
The IUPAC name of 2-(2-methoxyphenyl)-4-(2H-tetrazol-5-ylmethyl)-1,3-thiazole (CID 21151958) is 2-(2-methoxyphenyl)-4-(2H-tetrazol-5-ylmethyl)-1,3-thiazole.
What is the SMILES notation for 2-(2-methoxyphenyl)-4-(2H-tetrazol-5-ylmethyl)-1,3-thiazole?
The canonical SMILES for 2-(2-methoxyphenyl)-4-(2H-tetrazol-5-ylmethyl)-1,3-thiazole is COc1ccccc1-c1nc(Cc2nn[nH]n2)cs1.
What is the InChIKey of 2-(2-methoxyphenyl)-4-(2H-tetrazol-5-ylmethyl)-1,3-thiazole?
The InChIKey is JALJGBFNYSWRQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N5OS/c1-18-10-5-3-2-4-9(10)12-13-8(7-19-12)6-11-14-16-17-15-11/h2-5,7H,6H2,1H3,(H,14,15,16,17).
What are the key properties of 2-(2-methoxyphenyl)-4-(2H-tetrazol-5-ylmethyl)-1,3-thiazole?
2-(2-methoxyphenyl)-4-(2H-tetrazol-5-ylmethyl)-1,3-thiazole has a molecular weight of 273.32 g/mol, XLogP of 1.92, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyphenyl)-4-(2H-tetrazol-5-ylmethyl)-1,3-thiazole is sourced from PubChem (CID 21151958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).