2-(2-methoxyphenyl)-4-[[1-(oxolan-2-ylmethyl)tetrazol-5-yl]sulfanylmethyl]-1,3-thiazole

C17H19N5O2S2 — CID 51259859

IUPAC2-(2-methoxyphenyl)-4-[[1-(oxolan-2-ylmethyl)tetrazol-5-yl]sulfanylmethyl]-1,3-thiazole
SMILESCOc1ccccc1-c1nc(CSc2nnnn2CC2CCCO2)cs1
InChIInChI=1S/C17H19N5O2S2/c1-23-15-7-3-2-6-14(15)16-18-12(10-25-16)11-26-17-19-20-21-22(17)9-13-5-4-8-24-13/h2-3,6-7,10,13H,4-5,8-9,11H2,1H3
InChIKeySWFSEEKTFVUDPH-UHFFFAOYSA-N
MW389.51 g/mol
LogP3.28
Rot. Bonds7

About 2-(2-methoxyphenyl)-4-[[1-(oxolan-2-ylmethyl)tetrazol-5-yl]sulfanylmethyl]-1,3-thiazole

2-(2-methoxyphenyl)-4-[[1-(oxolan-2-ylmethyl)tetrazol-5-yl]sulfanylmethyl]-1,3-thiazole (PubChem CID 51259859) has the molecular formula C17H19N5O2S2 and a molecular weight of 389.51 g/mol. Its IUPAC name is 2-(2-methoxyphenyl)-4-[[1-(oxolan-2-ylmethyl)tetrazol-5-yl]sulfanylmethyl]-1,3-thiazole.

Molecular Properties

Compound Name2-(2-methoxyphenyl)-4-[[1-(oxolan-2-ylmethyl)tetrazol-5-yl]sulfanylmethyl]-1,3-thiazole
PubChem CID51259859
Molecular FormulaC17H19N5O2S2
Molecular Weight389.51 g/mol
Exact Mass389.10
IUPAC Name2-(2-methoxyphenyl)-4-[[1-(oxolan-2-ylmethyl)tetrazol-5-yl]sulfanylmethyl]-1,3-thiazole
SMILESCOc1ccccc1-c1nc(CSc2nnnn2CC2CCCO2)cs1
InChIInChI=1S/C17H19N5O2S2/c1-23-15-7-3-2-6-14(15)16-18-12(10-25-16)11-26-17-19-20-21-22(17)9-13-5-4-8-24-13/h2-3,6-7,10,13H,4-5,8-9,11H2,1H3
InChIKeySWFSEEKTFVUDPH-UHFFFAOYSA-N
XLogP3.28
TPSA74.95 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.51
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Related Compounds

2-cyclopropyl-4-[[1-(oxolan-2-ylmethyl)tetrazol-5-yl]sulfanylmethyl]-1,3-thiazole
CID 75433529
2-N-(2-methoxyphenyl)-6-[[1-[[(2R)-oxolan-2-yl]methyl]tetrazol-5-yl]sulfanylmethyl]-1,3,5-triazine-2,4-diamine
CID 41024203
2-(2-methoxyphenyl)-4-[[1-(4-methylphenyl)tetrazol-5-yl]sulfanylmethyl]-1,3-thiazole
CID 51140145
2-methyl-4-[2-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]sulfanylethyl]-1,3-thiazole
CID 75437933
4-[[1-(4-chlorophenyl)tetrazol-5-yl]sulfanylmethyl]-2-(2-methoxyphenyl)-1,3-thiazole
CID 4793112
4-[2,5-dimethyl-1-[[(2R)-oxolan-2-yl]methyl]pyrrol-3-yl]-2-(2-methoxyphenyl)-1,3-thiazole
CID 40898224
5-chloro-2-[[1-(oxolan-2-ylmethyl)tetrazol-5-yl]sulfanylmethyl]pyridine
CID 75498623
2-(2-chlorophenyl)-4-[[5-(2-methylfuran-3-yl)-4-(oxolan-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-1,3-thiazole
CID 19726019
2-(2,4-dimethylphenyl)-4-[[1-[[(2R)-oxolan-2-yl]methyl]tetrazol-5-yl]sulfanylmethyl]-1,3-oxazole
CID 30777865
2-(2-chlorophenyl)-4-[[5-(furan-2-yl)-4-(oxolan-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-1,3-thiazole
CID 19724138
1-(2-methoxy-5-methylphenyl)-2-[1-[[(2S)-oxolan-2-yl]methyl]tetrazol-5-yl]sulfanylethanone
CID 94797823
2-(2-chlorophenyl)-4-[[4-(oxolan-2-ylmethyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]sulfanylmethyl]-1,3-thiazole
CID 19725378

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyphenyl)-4-[[1-(oxolan-2-ylmethyl)tetrazol-5-yl]sulfanylmethyl]-1,3-thiazole?
The IUPAC name of 2-(2-methoxyphenyl)-4-[[1-(oxolan-2-ylmethyl)tetrazol-5-yl]sulfanylmethyl]-1,3-thiazole (CID 51259859) is 2-(2-methoxyphenyl)-4-[[1-(oxolan-2-ylmethyl)tetrazol-5-yl]sulfanylmethyl]-1,3-thiazole.
What is the SMILES notation for 2-(2-methoxyphenyl)-4-[[1-(oxolan-2-ylmethyl)tetrazol-5-yl]sulfanylmethyl]-1,3-thiazole?
The canonical SMILES for 2-(2-methoxyphenyl)-4-[[1-(oxolan-2-ylmethyl)tetrazol-5-yl]sulfanylmethyl]-1,3-thiazole is COc1ccccc1-c1nc(CSc2nnnn2CC2CCCO2)cs1.
What is the InChIKey of 2-(2-methoxyphenyl)-4-[[1-(oxolan-2-ylmethyl)tetrazol-5-yl]sulfanylmethyl]-1,3-thiazole?
The InChIKey is SWFSEEKTFVUDPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5O2S2/c1-23-15-7-3-2-6-14(15)16-18-12(10-25-16)11-26-17-19-20-21-22(17)9-13-5-4-8-24-13/h2-3,6-7,10,13H,4-5,8-9,11H2,1H3.
What are the key properties of 2-(2-methoxyphenyl)-4-[[1-(oxolan-2-ylmethyl)tetrazol-5-yl]sulfanylmethyl]-1,3-thiazole?
2-(2-methoxyphenyl)-4-[[1-(oxolan-2-ylmethyl)tetrazol-5-yl]sulfanylmethyl]-1,3-thiazole has a molecular weight of 389.51 g/mol, XLogP of 3.28, 7 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyphenyl)-4-[[1-(oxolan-2-ylmethyl)tetrazol-5-yl]sulfanylmethyl]-1,3-thiazole is sourced from PubChem (CID 51259859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).