2-(3,4-dimethoxyphenyl)-4-[(1-methyltetrazol-5-yl)sulfanylmethyl]-1,3-thiazole

C14H15N5O2S2 — CID 8021849

IUPAC2-(3,4-dimethoxyphenyl)-4-[(1-methyltetrazol-5-yl)sulfanylmethyl]-1,3-thiazole
SMILESCOc1ccc(-c2nc(CSc3nnnn3C)cs2)cc1OC
InChIInChI=1S/C14H15N5O2S2/c1-19-14(16-17-18-19)23-8-10-7-22-13(15-10)9-4-5-11(20-2)12(6-9)21-3/h4-7H,8H2,1-3H3
InChIKeyBUKJWWGAOXOBQM-UHFFFAOYSA-N
MW349.44 g/mol
LogP2.64
Rot. Bonds6

About 2-(3,4-dimethoxyphenyl)-4-[(1-methyltetrazol-5-yl)sulfanylmethyl]-1,3-thiazole

2-(3,4-dimethoxyphenyl)-4-[(1-methyltetrazol-5-yl)sulfanylmethyl]-1,3-thiazole (PubChem CID 8021849) has the molecular formula C14H15N5O2S2 and a molecular weight of 349.44 g/mol. Its IUPAC name is 2-(3,4-dimethoxyphenyl)-4-[(1-methyltetrazol-5-yl)sulfanylmethyl]-1,3-thiazole.

Molecular Properties

Compound Name2-(3,4-dimethoxyphenyl)-4-[(1-methyltetrazol-5-yl)sulfanylmethyl]-1,3-thiazole
PubChem CID8021849
Molecular FormulaC14H15N5O2S2
Molecular Weight349.44 g/mol
Exact Mass349.07
IUPAC Name2-(3,4-dimethoxyphenyl)-4-[(1-methyltetrazol-5-yl)sulfanylmethyl]-1,3-thiazole
SMILESCOc1ccc(-c2nc(CSc3nnnn3C)cs2)cc1OC
InChIInChI=1S/C14H15N5O2S2/c1-19-14(16-17-18-19)23-8-10-7-22-13(15-10)9-4-5-11(20-2)12(6-9)21-3/h4-7H,8H2,1-3H3
InChIKeyBUKJWWGAOXOBQM-UHFFFAOYSA-N
XLogP2.64
TPSA74.95 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.44
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Related Compounds

4-allyl-5-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]-4H-1,2,4-triazole-3-thiol
CID 1478843
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
6-[[2-[4-(2-Fluoroethoxy)-3-methoxyphenyl]-1,3-thiazol-4-yl]methylsulfanyl]-1,3,5-triazine-2,4-diamine
CID 73293026
6-[[2-[3-(2-Fluoroethoxy)-4-methoxyphenyl]-1,3-thiazol-4-yl]methylsulfanyl]-1,3,5-triazine-2,4-diamine
CID 73293027
6-[[2-[3-(3-Fluoropropoxy)-4-methoxyphenyl]-1,3-thiazol-4-yl]methylsulfanyl]-1,3,5-triazine-2,4-diamine
CID 73293188
4-({[5-(4-methoxyphenyl)-4-methyl-4H-1,2,4-triazol-3-yl]thio}methyl)-1,3-thiazol-2-amine
CID 1300486
N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide
CID 2341387
5-[[2-(4-Ethoxy-3-methoxyphenyl)-1,3-thiazol-4-yl]methylsulfanyl]-1,3,4-thiadiazol-2-amine
CID 2460529
4-(3,4-Dimethoxyphenyl)-2-thiophen-2-ylthiazole
CID 2507089
N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-(1-methyltetrazol-5-yl)sulfanylacetamide
CID 23962702
4-[4-(3,4-Dimethoxy-phenyl)-thiazol-2-yl]-5-methyl-thiophene-2-carboxamidine
CID 44363891

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethoxyphenyl)-4-[(1-methyltetrazol-5-yl)sulfanylmethyl]-1,3-thiazole?
The IUPAC name of 2-(3,4-dimethoxyphenyl)-4-[(1-methyltetrazol-5-yl)sulfanylmethyl]-1,3-thiazole (CID 8021849) is 2-(3,4-dimethoxyphenyl)-4-[(1-methyltetrazol-5-yl)sulfanylmethyl]-1,3-thiazole.
What is the SMILES notation for 2-(3,4-dimethoxyphenyl)-4-[(1-methyltetrazol-5-yl)sulfanylmethyl]-1,3-thiazole?
The canonical SMILES for 2-(3,4-dimethoxyphenyl)-4-[(1-methyltetrazol-5-yl)sulfanylmethyl]-1,3-thiazole is COc1ccc(-c2nc(CSc3nnnn3C)cs2)cc1OC.
What is the InChIKey of 2-(3,4-dimethoxyphenyl)-4-[(1-methyltetrazol-5-yl)sulfanylmethyl]-1,3-thiazole?
The InChIKey is BUKJWWGAOXOBQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N5O2S2/c1-19-14(16-17-18-19)23-8-10-7-22-13(15-10)9-4-5-11(20-2)12(6-9)21-3/h4-7H,8H2,1-3H3.
What are the key properties of 2-(3,4-dimethoxyphenyl)-4-[(1-methyltetrazol-5-yl)sulfanylmethyl]-1,3-thiazole?
2-(3,4-dimethoxyphenyl)-4-[(1-methyltetrazol-5-yl)sulfanylmethyl]-1,3-thiazole has a molecular weight of 349.44 g/mol, XLogP of 2.64, 6 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethoxyphenyl)-4-[(1-methyltetrazol-5-yl)sulfanylmethyl]-1,3-thiazole is sourced from PubChem (CID 8021849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).