N-[5-(morpholin-4-ylmethyl)-4-pyridin-4-yl-1,3-thiazol-2-yl]pyridine-3-carboxamide

C19H19N5O2S — CID 162651958

IUPACN-[5-(morpholin-4-ylmethyl)-4-pyridin-4-yl-1,3-thiazol-2-yl]pyridine-3-carboxamide
SMILESO=C(Nc1nc(-c2ccncc2)c(CN2CCOCC2)s1)c1cccnc1
InChIInChI=1S/C19H19N5O2S/c25-18(15-2-1-5-21-12-15)23-19-22-17(14-3-6-20-7-4-14)16(27-19)13-24-8-10-26-11-9-24/h1-7,12H,8-11,13H2,(H,22,23,25)
InChIKeyDBZOHTJBAVLXLU-UHFFFAOYSA-N
MW381.46 g/mol
LogP2.68
Rot. Bonds5

About N-[5-(morpholin-4-ylmethyl)-4-pyridin-4-yl-1,3-thiazol-2-yl]pyridine-3-carboxamide

N-[5-(morpholin-4-ylmethyl)-4-pyridin-4-yl-1,3-thiazol-2-yl]pyridine-3-carboxamide (PubChem CID 162651958) has the molecular formula C19H19N5O2S and a molecular weight of 381.46 g/mol. Its IUPAC name is N-[5-(morpholin-4-ylmethyl)-4-pyridin-4-yl-1,3-thiazol-2-yl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[5-(morpholin-4-ylmethyl)-4-pyridin-4-yl-1,3-thiazol-2-yl]pyridine-3-carboxamide
PubChem CID162651958
Molecular FormulaC19H19N5O2S
Molecular Weight381.46 g/mol
Exact Mass381.13
IUPAC NameN-[5-(morpholin-4-ylmethyl)-4-pyridin-4-yl-1,3-thiazol-2-yl]pyridine-3-carboxamide
SMILESO=C(Nc1nc(-c2ccncc2)c(CN2CCOCC2)s1)c1cccnc1
InChIInChI=1S/C19H19N5O2S/c25-18(15-2-1-5-21-12-15)23-19-22-17(14-3-6-20-7-4-14)16(27-19)13-24-8-10-26-11-9-24/h1-7,12H,8-11,13H2,(H,22,23,25)
InChIKeyDBZOHTJBAVLXLU-UHFFFAOYSA-N
XLogP2.68
TPSA80.24 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.46
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[5-(morpholin-4-ylmethyl)-4-pyridin-4-yl-1,3-thiazol-2-yl]pyridine-3-carboxamide?
The IUPAC name of N-[5-(morpholin-4-ylmethyl)-4-pyridin-4-yl-1,3-thiazol-2-yl]pyridine-3-carboxamide (CID 162651958) is N-[5-(morpholin-4-ylmethyl)-4-pyridin-4-yl-1,3-thiazol-2-yl]pyridine-3-carboxamide.
What is the SMILES notation for N-[5-(morpholin-4-ylmethyl)-4-pyridin-4-yl-1,3-thiazol-2-yl]pyridine-3-carboxamide?
The canonical SMILES for N-[5-(morpholin-4-ylmethyl)-4-pyridin-4-yl-1,3-thiazol-2-yl]pyridine-3-carboxamide is O=C(Nc1nc(-c2ccncc2)c(CN2CCOCC2)s1)c1cccnc1.
What is the InChIKey of N-[5-(morpholin-4-ylmethyl)-4-pyridin-4-yl-1,3-thiazol-2-yl]pyridine-3-carboxamide?
The InChIKey is DBZOHTJBAVLXLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5O2S/c25-18(15-2-1-5-21-12-15)23-19-22-17(14-3-6-20-7-4-14)16(27-19)13-24-8-10-26-11-9-24/h1-7,12H,8-11,13H2,(H,22,23,25).
What are the key properties of N-[5-(morpholin-4-ylmethyl)-4-pyridin-4-yl-1,3-thiazol-2-yl]pyridine-3-carboxamide?
N-[5-(morpholin-4-ylmethyl)-4-pyridin-4-yl-1,3-thiazol-2-yl]pyridine-3-carboxamide has a molecular weight of 381.46 g/mol, XLogP of 2.68, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(morpholin-4-ylmethyl)-4-pyridin-4-yl-1,3-thiazol-2-yl]pyridine-3-carboxamide is sourced from PubChem (CID 162651958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).