5-[(2-methylpropan-2-yl)oxy]-4-propyl-2-pyridin-3-ylpyrrolo[3,2-d][1,3]thiazol-6-ol

C17H21N3O2S — CID 70833296

IUPAC5-[(2-methylpropan-2-yl)oxy]-4-propyl-2-pyridin-3-ylpyrrolo[3,2-d][1,3]thiazol-6-ol
SMILESCCCn1c(OC(C)(C)C)c(O)c2nc(-c3cccnc3)sc21
InChIInChI=1S/C17H21N3O2S/c1-5-9-20-15(22-17(2,3)4)13(21)12-16(20)23-14(19-12)11-7-6-8-18-10-11/h6-8,10,21H,5,9H2,1-4H3
InChIKeyQTFWEIVONIOJBP-UHFFFAOYSA-N
MW331.44 g/mol
LogP4.45
Rot. Bonds4

About 5-[(2-methylpropan-2-yl)oxy]-4-propyl-2-pyridin-3-ylpyrrolo[3,2-d][1,3]thiazol-6-ol

5-[(2-methylpropan-2-yl)oxy]-4-propyl-2-pyridin-3-ylpyrrolo[3,2-d][1,3]thiazol-6-ol (PubChem CID 70833296) has the molecular formula C17H21N3O2S and a molecular weight of 331.44 g/mol. Its IUPAC name is 5-[(2-methylpropan-2-yl)oxy]-4-propyl-2-pyridin-3-ylpyrrolo[3,2-d][1,3]thiazol-6-ol.

Molecular Properties

Compound Name5-[(2-methylpropan-2-yl)oxy]-4-propyl-2-pyridin-3-ylpyrrolo[3,2-d][1,3]thiazol-6-ol
PubChem CID70833296
Molecular FormulaC17H21N3O2S
Molecular Weight331.44 g/mol
Exact Mass331.14
IUPAC Name5-[(2-methylpropan-2-yl)oxy]-4-propyl-2-pyridin-3-ylpyrrolo[3,2-d][1,3]thiazol-6-ol
SMILESCCCn1c(OC(C)(C)C)c(O)c2nc(-c3cccnc3)sc21
InChIInChI=1S/C17H21N3O2S/c1-5-9-20-15(22-17(2,3)4)13(21)12-16(20)23-14(19-12)11-7-6-8-18-10-11/h6-8,10,21H,5,9H2,1-4H3
InChIKeyQTFWEIVONIOJBP-UHFFFAOYSA-N
XLogP4.45
TPSA60.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.44
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[(2-methylpropan-2-yl)oxy]-4-propyl-2-pyridin-3-ylpyrrolo[3,2-d][1,3]thiazol-6-ol?
The IUPAC name of 5-[(2-methylpropan-2-yl)oxy]-4-propyl-2-pyridin-3-ylpyrrolo[3,2-d][1,3]thiazol-6-ol (CID 70833296) is 5-[(2-methylpropan-2-yl)oxy]-4-propyl-2-pyridin-3-ylpyrrolo[3,2-d][1,3]thiazol-6-ol.
What is the SMILES notation for 5-[(2-methylpropan-2-yl)oxy]-4-propyl-2-pyridin-3-ylpyrrolo[3,2-d][1,3]thiazol-6-ol?
The canonical SMILES for 5-[(2-methylpropan-2-yl)oxy]-4-propyl-2-pyridin-3-ylpyrrolo[3,2-d][1,3]thiazol-6-ol is CCCn1c(OC(C)(C)C)c(O)c2nc(-c3cccnc3)sc21.
What is the InChIKey of 5-[(2-methylpropan-2-yl)oxy]-4-propyl-2-pyridin-3-ylpyrrolo[3,2-d][1,3]thiazol-6-ol?
The InChIKey is QTFWEIVONIOJBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O2S/c1-5-9-20-15(22-17(2,3)4)13(21)12-16(20)23-14(19-12)11-7-6-8-18-10-11/h6-8,10,21H,5,9H2,1-4H3.
What are the key properties of 5-[(2-methylpropan-2-yl)oxy]-4-propyl-2-pyridin-3-ylpyrrolo[3,2-d][1,3]thiazol-6-ol?
5-[(2-methylpropan-2-yl)oxy]-4-propyl-2-pyridin-3-ylpyrrolo[3,2-d][1,3]thiazol-6-ol has a molecular weight of 331.44 g/mol, XLogP of 4.45, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-methylpropan-2-yl)oxy]-4-propyl-2-pyridin-3-ylpyrrolo[3,2-d][1,3]thiazol-6-ol is sourced from PubChem (CID 70833296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).