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

C19H17N5OS2 — CID 51140145

IUPAC2-(2-methoxyphenyl)-4-[[1-(4-methylphenyl)tetrazol-5-yl]sulfanylmethyl]-1,3-thiazole
SMILESCOc1ccccc1-c1nc(CSc2nnnn2-c2ccc(C)cc2)cs1
InChIInChI=1S/C19H17N5OS2/c1-13-7-9-15(10-8-13)24-19(21-22-23-24)27-12-14-11-26-18(20-14)16-5-3-4-6-17(16)25-2/h3-11H,12H2,1-2H3
InChIKeyALPTVDBSCVBWNQ-UHFFFAOYSA-N
MW395.51 g/mol
LogP4.40
Rot. Bonds6

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

2-(2-methoxyphenyl)-4-[[1-(4-methylphenyl)tetrazol-5-yl]sulfanylmethyl]-1,3-thiazole (PubChem CID 51140145) has the molecular formula C19H17N5OS2 and a molecular weight of 395.51 g/mol. Its IUPAC name is 2-(2-methoxyphenyl)-4-[[1-(4-methylphenyl)tetrazol-5-yl]sulfanylmethyl]-1,3-thiazole.

Molecular Properties

Compound Name2-(2-methoxyphenyl)-4-[[1-(4-methylphenyl)tetrazol-5-yl]sulfanylmethyl]-1,3-thiazole
PubChem CID51140145
Molecular FormulaC19H17N5OS2
Molecular Weight395.51 g/mol
Exact Mass395.09
IUPAC Name2-(2-methoxyphenyl)-4-[[1-(4-methylphenyl)tetrazol-5-yl]sulfanylmethyl]-1,3-thiazole
SMILESCOc1ccccc1-c1nc(CSc2nnnn2-c2ccc(C)cc2)cs1
InChIInChI=1S/C19H17N5OS2/c1-13-7-9-15(10-8-13)24-19(21-22-23-24)27-12-14-11-26-18(20-14)16-5-3-4-6-17(16)25-2/h3-11H,12H2,1-2H3
InChIKeyALPTVDBSCVBWNQ-UHFFFAOYSA-N
XLogP4.40
TPSA65.72 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.51
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyphenyl)-4-[[1-(4-methylphenyl)tetrazol-5-yl]sulfanylmethyl]-1,3-thiazole?
The IUPAC name of 2-(2-methoxyphenyl)-4-[[1-(4-methylphenyl)tetrazol-5-yl]sulfanylmethyl]-1,3-thiazole (CID 51140145) is 2-(2-methoxyphenyl)-4-[[1-(4-methylphenyl)tetrazol-5-yl]sulfanylmethyl]-1,3-thiazole.
What is the SMILES notation for 2-(2-methoxyphenyl)-4-[[1-(4-methylphenyl)tetrazol-5-yl]sulfanylmethyl]-1,3-thiazole?
The canonical SMILES for 2-(2-methoxyphenyl)-4-[[1-(4-methylphenyl)tetrazol-5-yl]sulfanylmethyl]-1,3-thiazole is COc1ccccc1-c1nc(CSc2nnnn2-c2ccc(C)cc2)cs1.
What is the InChIKey of 2-(2-methoxyphenyl)-4-[[1-(4-methylphenyl)tetrazol-5-yl]sulfanylmethyl]-1,3-thiazole?
The InChIKey is ALPTVDBSCVBWNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N5OS2/c1-13-7-9-15(10-8-13)24-19(21-22-23-24)27-12-14-11-26-18(20-14)16-5-3-4-6-17(16)25-2/h3-11H,12H2,1-2H3.
What are the key properties of 2-(2-methoxyphenyl)-4-[[1-(4-methylphenyl)tetrazol-5-yl]sulfanylmethyl]-1,3-thiazole?
2-(2-methoxyphenyl)-4-[[1-(4-methylphenyl)tetrazol-5-yl]sulfanylmethyl]-1,3-thiazole has a molecular weight of 395.51 g/mol, XLogP of 4.40, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyphenyl)-4-[[1-(4-methylphenyl)tetrazol-5-yl]sulfanylmethyl]-1,3-thiazole is sourced from PubChem (CID 51140145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).