2-[[5-[2-(1H-indazol-3-yl)-4-methyl-1,3-thiazol-5-yl]-2-pyridinyl]oxy]-N,N-dimethylethanamine

C20H21N5OS — CID 22259236

IUPAC2-[[5-[2-(1H-indazol-3-yl)-4-methyl-1,3-thiazol-5-yl]-2-pyridinyl]oxy]-N,N-dimethylethanamine
SMILESCc1nc(-c2n[nH]c3ccccc23)sc1-c1ccc(OCCN(C)C)nc1
InChIInChI=1S/C20H21N5OS/c1-13-19(14-8-9-17(21-12-14)26-11-10-25(2)3)27-20(22-13)18-15-6-4-5-7-16(15)23-24-18/h4-9,12H,10-11H2,1-3H3,(H,23,24)
InChIKeyLFRYZLULTQZYCN-UHFFFAOYSA-N
MW379.49 g/mol
LogP4.00
Rot. Bonds6

About 2-[[5-[2-(1H-indazol-3-yl)-4-methyl-1,3-thiazol-5-yl]-2-pyridinyl]oxy]-N,N-dimethylethanamine

2-[[5-[2-(1H-indazol-3-yl)-4-methyl-1,3-thiazol-5-yl]-2-pyridinyl]oxy]-N,N-dimethylethanamine (PubChem CID 22259236) has the molecular formula C20H21N5OS and a molecular weight of 379.49 g/mol. Its IUPAC name is 2-[[5-[2-(1H-indazol-3-yl)-4-methyl-1,3-thiazol-5-yl]-2-pyridinyl]oxy]-N,N-dimethylethanamine.

Molecular Properties

Compound Name2-[[5-[2-(1H-indazol-3-yl)-4-methyl-1,3-thiazol-5-yl]-2-pyridinyl]oxy]-N,N-dimethylethanamine
PubChem CID22259236
Molecular FormulaC20H21N5OS
Molecular Weight379.49 g/mol
Exact Mass379.15
IUPAC Name2-[[5-[2-(1H-indazol-3-yl)-4-methyl-1,3-thiazol-5-yl]-2-pyridinyl]oxy]-N,N-dimethylethanamine
SMILESCc1nc(-c2n[nH]c3ccccc23)sc1-c1ccc(OCCN(C)C)nc1
InChIInChI=1S/C20H21N5OS/c1-13-19(14-8-9-17(21-12-14)26-11-10-25(2)3)27-20(22-13)18-15-6-4-5-7-16(15)23-24-18/h4-9,12H,10-11H2,1-3H3,(H,23,24)
InChIKeyLFRYZLULTQZYCN-UHFFFAOYSA-N
XLogP4.00
TPSA66.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.49
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[[5-[2-(1H-indazol-3-yl)-4-methyl-1,3-thiazol-5-yl]-2-pyridinyl]oxy]-N,N-dimethylethanamine?
The IUPAC name of 2-[[5-[2-(1H-indazol-3-yl)-4-methyl-1,3-thiazol-5-yl]-2-pyridinyl]oxy]-N,N-dimethylethanamine (CID 22259236) is 2-[[5-[2-(1H-indazol-3-yl)-4-methyl-1,3-thiazol-5-yl]-2-pyridinyl]oxy]-N,N-dimethylethanamine.
What is the SMILES notation for 2-[[5-[2-(1H-indazol-3-yl)-4-methyl-1,3-thiazol-5-yl]-2-pyridinyl]oxy]-N,N-dimethylethanamine?
The canonical SMILES for 2-[[5-[2-(1H-indazol-3-yl)-4-methyl-1,3-thiazol-5-yl]-2-pyridinyl]oxy]-N,N-dimethylethanamine is Cc1nc(-c2n[nH]c3ccccc23)sc1-c1ccc(OCCN(C)C)nc1.
What is the InChIKey of 2-[[5-[2-(1H-indazol-3-yl)-4-methyl-1,3-thiazol-5-yl]-2-pyridinyl]oxy]-N,N-dimethylethanamine?
The InChIKey is LFRYZLULTQZYCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5OS/c1-13-19(14-8-9-17(21-12-14)26-11-10-25(2)3)27-20(22-13)18-15-6-4-5-7-16(15)23-24-18/h4-9,12H,10-11H2,1-3H3,(H,23,24).
What are the key properties of 2-[[5-[2-(1H-indazol-3-yl)-4-methyl-1,3-thiazol-5-yl]-2-pyridinyl]oxy]-N,N-dimethylethanamine?
2-[[5-[2-(1H-indazol-3-yl)-4-methyl-1,3-thiazol-5-yl]-2-pyridinyl]oxy]-N,N-dimethylethanamine has a molecular weight of 379.49 g/mol, XLogP of 4.00, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-[2-(1H-indazol-3-yl)-4-methyl-1,3-thiazol-5-yl]-2-pyridinyl]oxy]-N,N-dimethylethanamine is sourced from PubChem (CID 22259236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).