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

C13H13N5O2S — CID 3043288

IUPAC2-(3,4-dimethoxyphenyl)-4-(2H-tetrazol-5-ylmethyl)-1,3-thiazole
SMILESCOc1ccc(-c2nc(Cc3nn[nH]n3)cs2)cc1OC
InChIInChI=1S/C13H13N5O2S/c1-19-10-4-3-8(5-11(10)20-2)13-14-9(7-21-13)6-12-15-17-18-16-12/h3-5,7H,6H2,1-2H3,(H,15,16,17,18)
InChIKeyDHYHEJDJHVWFTD-UHFFFAOYSA-N
MW303.35 g/mol
LogP1.93
Rot. Bonds5

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

2-(3,4-dimethoxyphenyl)-4-(2H-tetrazol-5-ylmethyl)-1,3-thiazole (PubChem CID 3043288) has the molecular formula C13H13N5O2S and a molecular weight of 303.35 g/mol. Its IUPAC name is 2-(3,4-dimethoxyphenyl)-4-(2H-tetrazol-5-ylmethyl)-1,3-thiazole.

Molecular Properties

Compound Name2-(3,4-dimethoxyphenyl)-4-(2H-tetrazol-5-ylmethyl)-1,3-thiazole
PubChem CID3043288
Molecular FormulaC13H13N5O2S
Molecular Weight303.35 g/mol
Exact Mass303.08
IUPAC Name2-(3,4-dimethoxyphenyl)-4-(2H-tetrazol-5-ylmethyl)-1,3-thiazole
SMILESCOc1ccc(-c2nc(Cc3nn[nH]n3)cs2)cc1OC
InChIInChI=1S/C13H13N5O2S/c1-19-10-4-3-8(5-11(10)20-2)13-14-9(7-21-13)6-12-15-17-18-16-12/h3-5,7H,6H2,1-2H3,(H,15,16,17,18)
InChIKeyDHYHEJDJHVWFTD-UHFFFAOYSA-N
XLogP1.93
TPSA85.81 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.35
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-[[2-(4-Ethoxy-3-methoxyphenyl)-4-thiazolyl]methylthio]-5-methyl-1,3,4-thiadiazole
CID 4875681
4-[4-(3,4-Dimethoxy-phenyl)-thiazol-2-yl]-5-methylsulfanyl-thiophene-2-carboxamidine
CID 18537289
5-[[2-(4-Ethoxy-3-methoxyphenyl)-1,3-thiazol-4-yl]methylsulfanyl]-1,3,4-thiadiazol-2-amine
CID 2460529
5-[[2-(4-Ethoxyphenyl)-1,3-thiazol-4-yl]methylsulfanyl]-1,3,4-thiadiazol-2-amine
CID 2474505
4-(3,4-Dimethoxyphenyl)-2-thiophen-2-ylthiazole
CID 2507089
4-[4-(3,4-Dimethoxy-phenyl)-thiazol-2-yl]-5-methyl-thiophene-2-carboxamidine
CID 44363891
4-(3,4-Dimethoxyphenyl)-2-methyl-1,3-thiazole
CID 332398
2-[[2-(4-Ethoxy-3-methoxyphenyl)-1,3-thiazol-4-yl]methylsulfanyl]-1,3,4-thiadiazole
CID 2530096
4-(3,4-dimethoxyphenyl)-2-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-ylmethyl)-1,3-thiazole;hydrobromide
CID 6603529
N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]guanidine
CID 7176120
1H-Tetrazole, 5-((2-(methoxyphenyl)-4-thiazolyl)methyl)-
CID 3043286
Thiazole, 2-(p-methoxyphenyl)-4-(5(1H)-tetrazolylmethyl)-
CID 3043287

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethoxyphenyl)-4-(2H-tetrazol-5-ylmethyl)-1,3-thiazole?
The IUPAC name of 2-(3,4-dimethoxyphenyl)-4-(2H-tetrazol-5-ylmethyl)-1,3-thiazole (CID 3043288) is 2-(3,4-dimethoxyphenyl)-4-(2H-tetrazol-5-ylmethyl)-1,3-thiazole.
What is the SMILES notation for 2-(3,4-dimethoxyphenyl)-4-(2H-tetrazol-5-ylmethyl)-1,3-thiazole?
The canonical SMILES for 2-(3,4-dimethoxyphenyl)-4-(2H-tetrazol-5-ylmethyl)-1,3-thiazole is COc1ccc(-c2nc(Cc3nn[nH]n3)cs2)cc1OC.
What is the InChIKey of 2-(3,4-dimethoxyphenyl)-4-(2H-tetrazol-5-ylmethyl)-1,3-thiazole?
The InChIKey is DHYHEJDJHVWFTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N5O2S/c1-19-10-4-3-8(5-11(10)20-2)13-14-9(7-21-13)6-12-15-17-18-16-12/h3-5,7H,6H2,1-2H3,(H,15,16,17,18).
What are the key properties of 2-(3,4-dimethoxyphenyl)-4-(2H-tetrazol-5-ylmethyl)-1,3-thiazole?
2-(3,4-dimethoxyphenyl)-4-(2H-tetrazol-5-ylmethyl)-1,3-thiazole has a molecular weight of 303.35 g/mol, XLogP of 1.93, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethoxyphenyl)-4-(2H-tetrazol-5-ylmethyl)-1,3-thiazole is sourced from PubChem (CID 3043288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).