[4-[2-[(5-pyridin-3-yl-1,3-thiazol-2-yl)amino]-4-pyridinyl]morpholin-2-yl]methanol

C18H19N5O2S — CID 15978890

IUPAC[4-[2-[(5-pyridin-3-yl-1,3-thiazol-2-yl)amino]-4-pyridinyl]morpholin-2-yl]methanol
SMILESOCC1CN(c2ccnc(Nc3ncc(-c4cccnc4)s3)c2)CCO1
InChIInChI=1S/C18H19N5O2S/c24-12-15-11-23(6-7-25-15)14-3-5-20-17(8-14)22-18-21-10-16(26-18)13-2-1-4-19-9-13/h1-5,8-10,15,24H,6-7,11-12H2,(H,20,21,22)
InChIKeyJROIOLKNLAZRTG-UHFFFAOYSA-N
MW369.45 g/mol
LogP2.54
Rot. Bonds5

About [4-[2-[(5-pyridin-3-yl-1,3-thiazol-2-yl)amino]-4-pyridinyl]morpholin-2-yl]methanol

[4-[2-[(5-pyridin-3-yl-1,3-thiazol-2-yl)amino]-4-pyridinyl]morpholin-2-yl]methanol (PubChem CID 15978890) has the molecular formula C18H19N5O2S and a molecular weight of 369.45 g/mol. Its IUPAC name is [4-[2-[(5-pyridin-3-yl-1,3-thiazol-2-yl)amino]-4-pyridinyl]morpholin-2-yl]methanol.

Molecular Properties

Compound Name[4-[2-[(5-pyridin-3-yl-1,3-thiazol-2-yl)amino]-4-pyridinyl]morpholin-2-yl]methanol
PubChem CID15978890
Molecular FormulaC18H19N5O2S
Molecular Weight369.45 g/mol
Exact Mass369.13
IUPAC Name[4-[2-[(5-pyridin-3-yl-1,3-thiazol-2-yl)amino]-4-pyridinyl]morpholin-2-yl]methanol
SMILESOCC1CN(c2ccnc(Nc3ncc(-c4cccnc4)s3)c2)CCO1
InChIInChI=1S/C18H19N5O2S/c24-12-15-11-23(6-7-25-15)14-3-5-20-17(8-14)22-18-21-10-16(26-18)13-2-1-4-19-9-13/h1-5,8-10,15,24H,6-7,11-12H2,(H,20,21,22)
InChIKeyJROIOLKNLAZRTG-UHFFFAOYSA-N
XLogP2.54
TPSA83.40 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.45
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of [4-[2-[(5-pyridin-3-yl-1,3-thiazol-2-yl)amino]-4-pyridinyl]morpholin-2-yl]methanol?
The IUPAC name of [4-[2-[(5-pyridin-3-yl-1,3-thiazol-2-yl)amino]-4-pyridinyl]morpholin-2-yl]methanol (CID 15978890) is [4-[2-[(5-pyridin-3-yl-1,3-thiazol-2-yl)amino]-4-pyridinyl]morpholin-2-yl]methanol.
What is the SMILES notation for [4-[2-[(5-pyridin-3-yl-1,3-thiazol-2-yl)amino]-4-pyridinyl]morpholin-2-yl]methanol?
The canonical SMILES for [4-[2-[(5-pyridin-3-yl-1,3-thiazol-2-yl)amino]-4-pyridinyl]morpholin-2-yl]methanol is OCC1CN(c2ccnc(Nc3ncc(-c4cccnc4)s3)c2)CCO1.
What is the InChIKey of [4-[2-[(5-pyridin-3-yl-1,3-thiazol-2-yl)amino]-4-pyridinyl]morpholin-2-yl]methanol?
The InChIKey is JROIOLKNLAZRTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O2S/c24-12-15-11-23(6-7-25-15)14-3-5-20-17(8-14)22-18-21-10-16(26-18)13-2-1-4-19-9-13/h1-5,8-10,15,24H,6-7,11-12H2,(H,20,21,22).
What are the key properties of [4-[2-[(5-pyridin-3-yl-1,3-thiazol-2-yl)amino]-4-pyridinyl]morpholin-2-yl]methanol?
[4-[2-[(5-pyridin-3-yl-1,3-thiazol-2-yl)amino]-4-pyridinyl]morpholin-2-yl]methanol has a molecular weight of 369.45 g/mol, XLogP of 2.54, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[2-[(5-pyridin-3-yl-1,3-thiazol-2-yl)amino]-4-pyridinyl]morpholin-2-yl]methanol is sourced from PubChem (CID 15978890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).