1-[5-[2-(2-hydroxypropan-2-yl)-6-methylimidazo[2,1-b][1,3,4]thiadiazol-5-yl]-2-methylphenyl]sulfonyl-2-methylpropan-2-ol

C19H25N3O4S2 — CID 146411481

IUPAC1-[5-[2-(2-hydroxypropan-2-yl)-6-methylimidazo[2,1-b][1,3,4]thiadiazol-5-yl]-2-methylphenyl]sulfonyl-2-methylpropan-2-ol
SMILESCc1ccc(-c2c(C)nc3sc(C(C)(C)O)nn23)cc1S(=O)(=O)CC(C)(C)O
InChIInChI=1S/C19H25N3O4S2/c1-11-7-8-13(9-14(11)28(25,26)10-18(3,4)23)15-12(2)20-17-22(15)21-16(27-17)19(5,6)24/h7-9,23-24H,10H2,1-6H3
InChIKeyOOGZMKYTFQQNRI-UHFFFAOYSA-N
MW423.56 g/mol
LogP2.85
Rot. Bonds5

About 1-[5-[2-(2-hydroxypropan-2-yl)-6-methylimidazo[2,1-b][1,3,4]thiadiazol-5-yl]-2-methylphenyl]sulfonyl-2-methylpropan-2-ol

1-[5-[2-(2-hydroxypropan-2-yl)-6-methylimidazo[2,1-b][1,3,4]thiadiazol-5-yl]-2-methylphenyl]sulfonyl-2-methylpropan-2-ol (PubChem CID 146411481) has the molecular formula C19H25N3O4S2 and a molecular weight of 423.56 g/mol. Its IUPAC name is 1-[5-[2-(2-hydroxypropan-2-yl)-6-methylimidazo[2,1-b][1,3,4]thiadiazol-5-yl]-2-methylphenyl]sulfonyl-2-methylpropan-2-ol.

Molecular Properties

Compound Name1-[5-[2-(2-hydroxypropan-2-yl)-6-methylimidazo[2,1-b][1,3,4]thiadiazol-5-yl]-2-methylphenyl]sulfonyl-2-methylpropan-2-ol
PubChem CID146411481
Molecular FormulaC19H25N3O4S2
Molecular Weight423.56 g/mol
Exact Mass423.13
IUPAC Name1-[5-[2-(2-hydroxypropan-2-yl)-6-methylimidazo[2,1-b][1,3,4]thiadiazol-5-yl]-2-methylphenyl]sulfonyl-2-methylpropan-2-ol
SMILESCc1ccc(-c2c(C)nc3sc(C(C)(C)O)nn23)cc1S(=O)(=O)CC(C)(C)O
InChIInChI=1S/C19H25N3O4S2/c1-11-7-8-13(9-14(11)28(25,26)10-18(3,4)23)15-12(2)20-17-22(15)21-16(27-17)19(5,6)24/h7-9,23-24H,10H2,1-6H3
InChIKeyOOGZMKYTFQQNRI-UHFFFAOYSA-N
XLogP2.85
TPSA104.79 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.56
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 1-[5-[2-(2-hydroxypropan-2-yl)-6-methylimidazo[2,1-b][1,3,4]thiadiazol-5-yl]-2-methylphenyl]sulfonyl-2-methylpropan-2-ol?
The IUPAC name of 1-[5-[2-(2-hydroxypropan-2-yl)-6-methylimidazo[2,1-b][1,3,4]thiadiazol-5-yl]-2-methylphenyl]sulfonyl-2-methylpropan-2-ol (CID 146411481) is 1-[5-[2-(2-hydroxypropan-2-yl)-6-methylimidazo[2,1-b][1,3,4]thiadiazol-5-yl]-2-methylphenyl]sulfonyl-2-methylpropan-2-ol.
What is the SMILES notation for 1-[5-[2-(2-hydroxypropan-2-yl)-6-methylimidazo[2,1-b][1,3,4]thiadiazol-5-yl]-2-methylphenyl]sulfonyl-2-methylpropan-2-ol?
The canonical SMILES for 1-[5-[2-(2-hydroxypropan-2-yl)-6-methylimidazo[2,1-b][1,3,4]thiadiazol-5-yl]-2-methylphenyl]sulfonyl-2-methylpropan-2-ol is Cc1ccc(-c2c(C)nc3sc(C(C)(C)O)nn23)cc1S(=O)(=O)CC(C)(C)O.
What is the InChIKey of 1-[5-[2-(2-hydroxypropan-2-yl)-6-methylimidazo[2,1-b][1,3,4]thiadiazol-5-yl]-2-methylphenyl]sulfonyl-2-methylpropan-2-ol?
The InChIKey is OOGZMKYTFQQNRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O4S2/c1-11-7-8-13(9-14(11)28(25,26)10-18(3,4)23)15-12(2)20-17-22(15)21-16(27-17)19(5,6)24/h7-9,23-24H,10H2,1-6H3.
What are the key properties of 1-[5-[2-(2-hydroxypropan-2-yl)-6-methylimidazo[2,1-b][1,3,4]thiadiazol-5-yl]-2-methylphenyl]sulfonyl-2-methylpropan-2-ol?
1-[5-[2-(2-hydroxypropan-2-yl)-6-methylimidazo[2,1-b][1,3,4]thiadiazol-5-yl]-2-methylphenyl]sulfonyl-2-methylpropan-2-ol has a molecular weight of 423.56 g/mol, XLogP of 2.85, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[2-(2-hydroxypropan-2-yl)-6-methylimidazo[2,1-b][1,3,4]thiadiazol-5-yl]-2-methylphenyl]sulfonyl-2-methylpropan-2-ol is sourced from PubChem (CID 146411481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).