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

C18H18N6O2S — CID 15979630

IUPAC5-[2-[(4-morpholin-4-yl-2-pyridinyl)amino]-1,3-thiazol-5-yl]pyridine-3-carboxamide
SMILESNC(=O)c1cncc(-c2cnc(Nc3cc(N4CCOCC4)ccn3)s2)c1
InChIInChI=1S/C18H18N6O2S/c19-17(25)13-7-12(9-20-10-13)15-11-22-18(27-15)23-16-8-14(1-2-21-16)24-3-5-26-6-4-24/h1-2,7-11H,3-6H2,(H2,19,25)(H,21,22,23)
InChIKeyQIMWDPQUOYIAAE-UHFFFAOYSA-N
MW382.45 g/mol
LogP2.28
Rot. Bonds5

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

5-[2-[(4-morpholin-4-yl-2-pyridinyl)amino]-1,3-thiazol-5-yl]pyridine-3-carboxamide (PubChem CID 15979630) has the molecular formula C18H18N6O2S and a molecular weight of 382.45 g/mol. Its IUPAC name is 5-[2-[(4-morpholin-4-yl-2-pyridinyl)amino]-1,3-thiazol-5-yl]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-[2-[(4-morpholin-4-yl-2-pyridinyl)amino]-1,3-thiazol-5-yl]pyridine-3-carboxamide
PubChem CID15979630
Molecular FormulaC18H18N6O2S
Molecular Weight382.45 g/mol
Exact Mass382.12
IUPAC Name5-[2-[(4-morpholin-4-yl-2-pyridinyl)amino]-1,3-thiazol-5-yl]pyridine-3-carboxamide
SMILESNC(=O)c1cncc(-c2cnc(Nc3cc(N4CCOCC4)ccn3)s2)c1
InChIInChI=1S/C18H18N6O2S/c19-17(25)13-7-12(9-20-10-13)15-11-22-18(27-15)23-16-8-14(1-2-21-16)24-3-5-26-6-4-24/h1-2,7-11H,3-6H2,(H2,19,25)(H,21,22,23)
InChIKeyQIMWDPQUOYIAAE-UHFFFAOYSA-N
XLogP2.28
TPSA106.26 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.45
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 5-[2-[(4-morpholin-4-yl-2-pyridinyl)amino]-1,3-thiazol-5-yl]pyridine-3-carboxamide?
The IUPAC name of 5-[2-[(4-morpholin-4-yl-2-pyridinyl)amino]-1,3-thiazol-5-yl]pyridine-3-carboxamide (CID 15979630) is 5-[2-[(4-morpholin-4-yl-2-pyridinyl)amino]-1,3-thiazol-5-yl]pyridine-3-carboxamide.
What is the SMILES notation for 5-[2-[(4-morpholin-4-yl-2-pyridinyl)amino]-1,3-thiazol-5-yl]pyridine-3-carboxamide?
The canonical SMILES for 5-[2-[(4-morpholin-4-yl-2-pyridinyl)amino]-1,3-thiazol-5-yl]pyridine-3-carboxamide is NC(=O)c1cncc(-c2cnc(Nc3cc(N4CCOCC4)ccn3)s2)c1.
What is the InChIKey of 5-[2-[(4-morpholin-4-yl-2-pyridinyl)amino]-1,3-thiazol-5-yl]pyridine-3-carboxamide?
The InChIKey is QIMWDPQUOYIAAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N6O2S/c19-17(25)13-7-12(9-20-10-13)15-11-22-18(27-15)23-16-8-14(1-2-21-16)24-3-5-26-6-4-24/h1-2,7-11H,3-6H2,(H2,19,25)(H,21,22,23).
What are the key properties of 5-[2-[(4-morpholin-4-yl-2-pyridinyl)amino]-1,3-thiazol-5-yl]pyridine-3-carboxamide?
5-[2-[(4-morpholin-4-yl-2-pyridinyl)amino]-1,3-thiazol-5-yl]pyridine-3-carboxamide has a molecular weight of 382.45 g/mol, XLogP of 2.28, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[(4-morpholin-4-yl-2-pyridinyl)amino]-1,3-thiazol-5-yl]pyridine-3-carboxamide is sourced from PubChem (CID 15979630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).