2,5-bis(2-propan-2-yloxyphenyl)-[1,3]thiazolo[5,4-d][1,3]thiazole

C22H22N2O2S2 — CID 3547520

IUPAC2,5-bis(2-propan-2-yloxyphenyl)-[1,3]thiazolo[5,4-d][1,3]thiazole
SMILESCC(C)Oc1ccccc1-c1nc2sc(-c3ccccc3OC(C)C)nc2s1
InChIInChI=1S/C22H22N2O2S2/c1-13(2)25-17-11-7-5-9-15(17)19-23-21-22(27-19)24-20(28-21)16-10-6-8-12-18(16)26-14(3)4/h5-14H,1-4H3
InChIKeyIOAQOTDSQSRERI-UHFFFAOYSA-N
MW410.56 g/mol
LogP6.66
Rot. Bonds6

About 2,5-bis(2-propan-2-yloxyphenyl)-[1,3]thiazolo[5,4-d][1,3]thiazole

2,5-bis(2-propan-2-yloxyphenyl)-[1,3]thiazolo[5,4-d][1,3]thiazole (PubChem CID 3547520) has the molecular formula C22H22N2O2S2 and a molecular weight of 410.56 g/mol. Its IUPAC name is 2,5-bis(2-propan-2-yloxyphenyl)-[1,3]thiazolo[5,4-d][1,3]thiazole.

Molecular Properties

Compound Name2,5-bis(2-propan-2-yloxyphenyl)-[1,3]thiazolo[5,4-d][1,3]thiazole
PubChem CID3547520
Molecular FormulaC22H22N2O2S2
Molecular Weight410.56 g/mol
Exact Mass410.11
IUPAC Name2,5-bis(2-propan-2-yloxyphenyl)-[1,3]thiazolo[5,4-d][1,3]thiazole
SMILESCC(C)Oc1ccccc1-c1nc2sc(-c3ccccc3OC(C)C)nc2s1
InChIInChI=1S/C22H22N2O2S2/c1-13(2)25-17-11-7-5-9-15(17)19-23-21-22(27-19)24-20(28-21)16-10-6-8-12-18(16)26-14(3)4/h5-14H,1-4H3
InChIKeyIOAQOTDSQSRERI-UHFFFAOYSA-N
XLogP6.66
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.56
LogP ≤ 56.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-(2-propan-2-yloxyphenyl)-1,3-thiazole-5-carbaldehyde
CID 178133884
5-(2-propan-2-yloxyphenyl)-1,2,4-triazin-3-amine
CID 68627887
2-methyl-3-(2-propan-2-yloxyphenyl)aniline
CID 107626705
1-[2-[2-(difluoromethoxy)phenyl]-4-methyl-1,3-thiazol-5-yl]-N-methylethanamine
CID 61282666
5-methyl-2-propan-2-yl-6-(2-propan-2-yloxyphenyl)pyrimidin-4-amine
CID 80975371
4-bromo-5-(2-propan-2-yloxyphenyl)pyrimidine
CID 105371401
2-[2-(1,3-benzothiazol-2-yl)phenoxy]-N-methylpropan-1-amine
CID 62597898
3-(2-propan-2-yloxyphenyl)-1H-pyridazin-6-one
CID 106519316
2-propan-2-yloxyaniline;hydrochloride
CID 24779669
N-[[2-(2-methoxyphenyl)-4-propan-2-yl-1,3-thiazol-5-yl]methyl]propan-2-amine
CID 82434875
morpholin-4-yl-[2-(2-propan-2-yloxyphenyl)-1,3-thiazol-4-yl]methanone
CID 46067271
3-methoxy-2-(2-propan-2-yloxyphenyl)benzoic acid
CID 19594924

Frequently Asked Questions

What is the IUPAC name of 2,5-bis(2-propan-2-yloxyphenyl)-[1,3]thiazolo[5,4-d][1,3]thiazole?
The IUPAC name of 2,5-bis(2-propan-2-yloxyphenyl)-[1,3]thiazolo[5,4-d][1,3]thiazole (CID 3547520) is 2,5-bis(2-propan-2-yloxyphenyl)-[1,3]thiazolo[5,4-d][1,3]thiazole.
What is the SMILES notation for 2,5-bis(2-propan-2-yloxyphenyl)-[1,3]thiazolo[5,4-d][1,3]thiazole?
The canonical SMILES for 2,5-bis(2-propan-2-yloxyphenyl)-[1,3]thiazolo[5,4-d][1,3]thiazole is CC(C)Oc1ccccc1-c1nc2sc(-c3ccccc3OC(C)C)nc2s1.
What is the InChIKey of 2,5-bis(2-propan-2-yloxyphenyl)-[1,3]thiazolo[5,4-d][1,3]thiazole?
The InChIKey is IOAQOTDSQSRERI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O2S2/c1-13(2)25-17-11-7-5-9-15(17)19-23-21-22(27-19)24-20(28-21)16-10-6-8-12-18(16)26-14(3)4/h5-14H,1-4H3.
What are the key properties of 2,5-bis(2-propan-2-yloxyphenyl)-[1,3]thiazolo[5,4-d][1,3]thiazole?
2,5-bis(2-propan-2-yloxyphenyl)-[1,3]thiazolo[5,4-d][1,3]thiazole has a molecular weight of 410.56 g/mol, XLogP of 6.66, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-bis(2-propan-2-yloxyphenyl)-[1,3]thiazolo[5,4-d][1,3]thiazole is sourced from PubChem (CID 3547520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).