1-[2-[[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]methoxy]-3-methylphenyl]-4-methyltetrazol-5-one

C20H19N5O3S — CID 122519670

IUPAC1-[2-[[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]methoxy]-3-methylphenyl]-4-methyltetrazol-5-one
SMILESCOc1ccccc1-c1csc(COc2c(C)cccc2-n2nnn(C)c2=O)n1
InChIInChI=1S/C20H19N5O3S/c1-13-7-6-9-16(25-20(26)24(2)22-23-25)19(13)28-11-18-21-15(12-29-18)14-8-4-5-10-17(14)27-3/h4-10,12H,11H2,1-3H3
InChIKeyRDDQBCXBUKYOMP-UHFFFAOYSA-N
MW409.47 g/mol
LogP2.99
Rot. Bonds6

About 1-[2-[[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]methoxy]-3-methylphenyl]-4-methyltetrazol-5-one

1-[2-[[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]methoxy]-3-methylphenyl]-4-methyltetrazol-5-one (PubChem CID 122519670) has the molecular formula C20H19N5O3S and a molecular weight of 409.47 g/mol. Its IUPAC name is 1-[2-[[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]methoxy]-3-methylphenyl]-4-methyltetrazol-5-one.

Molecular Properties

Compound Name1-[2-[[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]methoxy]-3-methylphenyl]-4-methyltetrazol-5-one
PubChem CID122519670
Molecular FormulaC20H19N5O3S
Molecular Weight409.47 g/mol
Exact Mass409.12
IUPAC Name1-[2-[[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]methoxy]-3-methylphenyl]-4-methyltetrazol-5-one
SMILESCOc1ccccc1-c1csc(COc2c(C)cccc2-n2nnn(C)c2=O)n1
InChIInChI=1S/C20H19N5O3S/c1-13-7-6-9-16(25-20(26)24(2)22-23-25)19(13)28-11-18-21-15(12-29-18)14-8-4-5-10-17(14)27-3/h4-10,12H,11H2,1-3H3
InChIKeyRDDQBCXBUKYOMP-UHFFFAOYSA-N
XLogP2.99
TPSA84.06 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.47
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Related Compounds

1-[2-[[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]methoxy]-3-methylphenyl]-4-methyltetrazolidin-5-one
CID 118054278
1-[2-[[6-(2-methoxyphenyl)-2-methyl-3-pyridinyl]oxymethyl]-3-methylphenyl]-4-methyltetrazol-5-one
CID 121380873
1-methyl-4-[3-methyl-2-[(4-phenoxyphenyl)methoxy]phenyl]tetrazol-5-one
CID 118054264
1-methyl-4-[3-methyl-2-[(2-methyl-4-phenylphenyl)methoxy]phenyl]tetrazol-5-one
CID 122506529
1-[3-methoxy-2-(pyridin-2-yloxymethyl)phenyl]-4-methyltetrazol-5-one
CID 140707211
1-[3-methoxy-2-[[6-(4-methoxyphenyl)-2-pyridinyl]oxymethyl]phenyl]-4-methyltetrazol-5-one
CID 118966113
1-[2-[(2,5-difluoro-4-pyridin-2-ylphenoxy)methyl]-3-methylphenyl]-4-methyltetrazol-5-one
CID 121367399
1-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]-N-methylmethanamine
CID 4212091
1-[3-methoxy-2-[[2-methyl-4-[6-(trifluoromethyl)-2-pyridinyl]phenoxy]methyl]phenyl]-4-methyltetrazol-5-one
CID 121368291
1-[2-[[4-(6-chloro-2-pyridinyl)-2,5-dimethylphenoxy]methyl]phenyl]-4-methyltetrazol-5-one
CID 121367390
1-[2-[[N-(2-methoxyphenyl)-C-methylsulfanylcarbonimidoyl]sulfanylmethyl]-3-methylphenyl]-4-methyltetrazol-5-one
CID 142358791
1-[2-[[4-(6-chloro-2-pyridinyl)-2-methylphenoxy]methyl]phenyl]-4-methyltetrazol-5-one
CID 121367349

Frequently Asked Questions

What is the IUPAC name of 1-[2-[[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]methoxy]-3-methylphenyl]-4-methyltetrazol-5-one?
The IUPAC name of 1-[2-[[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]methoxy]-3-methylphenyl]-4-methyltetrazol-5-one (CID 122519670) is 1-[2-[[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]methoxy]-3-methylphenyl]-4-methyltetrazol-5-one.
What is the SMILES notation for 1-[2-[[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]methoxy]-3-methylphenyl]-4-methyltetrazol-5-one?
The canonical SMILES for 1-[2-[[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]methoxy]-3-methylphenyl]-4-methyltetrazol-5-one is COc1ccccc1-c1csc(COc2c(C)cccc2-n2nnn(C)c2=O)n1.
What is the InChIKey of 1-[2-[[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]methoxy]-3-methylphenyl]-4-methyltetrazol-5-one?
The InChIKey is RDDQBCXBUKYOMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N5O3S/c1-13-7-6-9-16(25-20(26)24(2)22-23-25)19(13)28-11-18-21-15(12-29-18)14-8-4-5-10-17(14)27-3/h4-10,12H,11H2,1-3H3.
What are the key properties of 1-[2-[[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]methoxy]-3-methylphenyl]-4-methyltetrazol-5-one?
1-[2-[[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]methoxy]-3-methylphenyl]-4-methyltetrazol-5-one has a molecular weight of 409.47 g/mol, XLogP of 2.99, 6 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]methoxy]-3-methylphenyl]-4-methyltetrazol-5-one is sourced from PubChem (CID 122519670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).