4-[[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-2-yl]methyl]morpholine

C15H16N4OS — CID 75400535

IUPAC4-[[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-2-yl]methyl]morpholine
SMILESc1cnc2[nH]cc(-c3csc(CN4CCOCC4)n3)c2c1
InChIInChI=1S/C15H16N4OS/c1-2-11-12(8-17-15(11)16-3-1)13-10-21-14(18-13)9-19-4-6-20-7-5-19/h1-3,8,10H,4-7,9H2,(H,16,17)
InChIKeyPUNIZJHRLRZAIP-UHFFFAOYSA-N
MW300.39 g/mol
LogP2.52
Rot. Bonds3

About 4-[[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-2-yl]methyl]morpholine

4-[[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-2-yl]methyl]morpholine (PubChem CID 75400535) has the molecular formula C15H16N4OS and a molecular weight of 300.39 g/mol. Its IUPAC name is 4-[[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-2-yl]methyl]morpholine.

Molecular Properties

Compound Name4-[[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-2-yl]methyl]morpholine
PubChem CID75400535
Molecular FormulaC15H16N4OS
Molecular Weight300.39 g/mol
Exact Mass300.10
IUPAC Name4-[[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-2-yl]methyl]morpholine
SMILESc1cnc2[nH]cc(-c3csc(CN4CCOCC4)n3)c2c1
InChIInChI=1S/C15H16N4OS/c1-2-11-12(8-17-15(11)16-3-1)13-10-21-14(18-13)9-19-4-6-20-7-5-19/h1-3,8,10H,4-7,9H2,(H,16,17)
InChIKeyPUNIZJHRLRZAIP-UHFFFAOYSA-N
XLogP2.52
TPSA54.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.39
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-2-yl]methyl]morpholine?
The IUPAC name of 4-[[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-2-yl]methyl]morpholine (CID 75400535) is 4-[[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-2-yl]methyl]morpholine.
What is the SMILES notation for 4-[[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-2-yl]methyl]morpholine?
The canonical SMILES for 4-[[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-2-yl]methyl]morpholine is c1cnc2[nH]cc(-c3csc(CN4CCOCC4)n3)c2c1.
What is the InChIKey of 4-[[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-2-yl]methyl]morpholine?
The InChIKey is PUNIZJHRLRZAIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4OS/c1-2-11-12(8-17-15(11)16-3-1)13-10-21-14(18-13)9-19-4-6-20-7-5-19/h1-3,8,10H,4-7,9H2,(H,16,17).
What are the key properties of 4-[[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-2-yl]methyl]morpholine?
4-[[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-2-yl]methyl]morpholine has a molecular weight of 300.39 g/mol, XLogP of 2.52, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-2-yl]methyl]morpholine is sourced from PubChem (CID 75400535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).