5-propan-2-yl-2-[[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperazin-1-yl]methyl]-1,3-oxazole

C17H21N5OS — CID 75463903

IUPAC5-propan-2-yl-2-[[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperazin-1-yl]methyl]-1,3-oxazole
SMILESCC(C)c1cnc(CN2CCN(c3nc4cccnc4s3)CC2)o1
InChIInChI=1S/C17H21N5OS/c1-12(2)14-10-19-15(23-14)11-21-6-8-22(9-7-21)17-20-13-4-3-5-18-16(13)24-17/h3-5,10,12H,6-9,11H2,1-2H3
InChIKeyAMZKVWDTWCSEEA-UHFFFAOYSA-N
MW343.46 g/mol
LogP3.12
Rot. Bonds4

About 5-propan-2-yl-2-[[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperazin-1-yl]methyl]-1,3-oxazole

5-propan-2-yl-2-[[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperazin-1-yl]methyl]-1,3-oxazole (PubChem CID 75463903) has the molecular formula C17H21N5OS and a molecular weight of 343.46 g/mol. Its IUPAC name is 5-propan-2-yl-2-[[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperazin-1-yl]methyl]-1,3-oxazole.

Molecular Properties

Compound Name5-propan-2-yl-2-[[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperazin-1-yl]methyl]-1,3-oxazole
PubChem CID75463903
Molecular FormulaC17H21N5OS
Molecular Weight343.46 g/mol
Exact Mass343.15
IUPAC Name5-propan-2-yl-2-[[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperazin-1-yl]methyl]-1,3-oxazole
SMILESCC(C)c1cnc(CN2CCN(c3nc4cccnc4s3)CC2)o1
InChIInChI=1S/C17H21N5OS/c1-12(2)14-10-19-15(23-14)11-21-6-8-22(9-7-21)17-20-13-4-3-5-18-16(13)24-17/h3-5,10,12H,6-9,11H2,1-2H3
InChIKeyAMZKVWDTWCSEEA-UHFFFAOYSA-N
XLogP3.12
TPSA58.29 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.46
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-propan-2-yl-2-[[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperazin-1-yl]methyl]-1,3-oxazole?
The IUPAC name of 5-propan-2-yl-2-[[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperazin-1-yl]methyl]-1,3-oxazole (CID 75463903) is 5-propan-2-yl-2-[[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperazin-1-yl]methyl]-1,3-oxazole.
What is the SMILES notation for 5-propan-2-yl-2-[[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperazin-1-yl]methyl]-1,3-oxazole?
The canonical SMILES for 5-propan-2-yl-2-[[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperazin-1-yl]methyl]-1,3-oxazole is CC(C)c1cnc(CN2CCN(c3nc4cccnc4s3)CC2)o1.
What is the InChIKey of 5-propan-2-yl-2-[[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperazin-1-yl]methyl]-1,3-oxazole?
The InChIKey is AMZKVWDTWCSEEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N5OS/c1-12(2)14-10-19-15(23-14)11-21-6-8-22(9-7-21)17-20-13-4-3-5-18-16(13)24-17/h3-5,10,12H,6-9,11H2,1-2H3.
What are the key properties of 5-propan-2-yl-2-[[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperazin-1-yl]methyl]-1,3-oxazole?
5-propan-2-yl-2-[[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperazin-1-yl]methyl]-1,3-oxazole has a molecular weight of 343.46 g/mol, XLogP of 3.12, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-propan-2-yl-2-[[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperazin-1-yl]methyl]-1,3-oxazole is sourced from PubChem (CID 75463903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).