N-(4-morpholin-4-yl-2-pyridinyl)-5-[5-(1H-pyrazol-4-yl)-3-pyridinyl]-1,3-thiazol-2-amine

C20H19N7OS — CID 15979395

IUPACN-(4-morpholin-4-yl-2-pyridinyl)-5-[5-(1H-pyrazol-4-yl)-3-pyridinyl]-1,3-thiazol-2-amine
SMILESc1cc(N2CCOCC2)cc(Nc2ncc(-c3cncc(-c4cn[nH]c4)c3)s2)n1
InChIInChI=1S/C20H19N7OS/c1-2-22-19(8-17(1)27-3-5-28-6-4-27)26-20-23-13-18(29-20)15-7-14(9-21-10-15)16-11-24-25-12-16/h1-2,7-13H,3-6H2,(H,24,25)(H,22,23,26)
InChIKeyAJRYTCKDSFVPCM-UHFFFAOYSA-N
MW405.49 g/mol
LogP3.57
Rot. Bonds5

About N-(4-morpholin-4-yl-2-pyridinyl)-5-[5-(1H-pyrazol-4-yl)-3-pyridinyl]-1,3-thiazol-2-amine

N-(4-morpholin-4-yl-2-pyridinyl)-5-[5-(1H-pyrazol-4-yl)-3-pyridinyl]-1,3-thiazol-2-amine (PubChem CID 15979395) has the molecular formula C20H19N7OS and a molecular weight of 405.49 g/mol. Its IUPAC name is N-(4-morpholin-4-yl-2-pyridinyl)-5-[5-(1H-pyrazol-4-yl)-3-pyridinyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-(4-morpholin-4-yl-2-pyridinyl)-5-[5-(1H-pyrazol-4-yl)-3-pyridinyl]-1,3-thiazol-2-amine
PubChem CID15979395
Molecular FormulaC20H19N7OS
Molecular Weight405.49 g/mol
Exact Mass405.14
IUPAC NameN-(4-morpholin-4-yl-2-pyridinyl)-5-[5-(1H-pyrazol-4-yl)-3-pyridinyl]-1,3-thiazol-2-amine
SMILESc1cc(N2CCOCC2)cc(Nc2ncc(-c3cncc(-c4cn[nH]c4)c3)s2)n1
InChIInChI=1S/C20H19N7OS/c1-2-22-19(8-17(1)27-3-5-28-6-4-27)26-20-23-13-18(29-20)15-7-14(9-21-10-15)16-11-24-25-12-16/h1-2,7-13H,3-6H2,(H,24,25)(H,22,23,26)
InChIKeyAJRYTCKDSFVPCM-UHFFFAOYSA-N
XLogP3.57
TPSA91.85 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.49
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-(4-morpholin-4-yl-2-pyridinyl)-5-[5-(1H-pyrazol-4-yl)-3-pyridinyl]-1,3-thiazol-2-amine?
The IUPAC name of N-(4-morpholin-4-yl-2-pyridinyl)-5-[5-(1H-pyrazol-4-yl)-3-pyridinyl]-1,3-thiazol-2-amine (CID 15979395) is N-(4-morpholin-4-yl-2-pyridinyl)-5-[5-(1H-pyrazol-4-yl)-3-pyridinyl]-1,3-thiazol-2-amine.
What is the SMILES notation for N-(4-morpholin-4-yl-2-pyridinyl)-5-[5-(1H-pyrazol-4-yl)-3-pyridinyl]-1,3-thiazol-2-amine?
The canonical SMILES for N-(4-morpholin-4-yl-2-pyridinyl)-5-[5-(1H-pyrazol-4-yl)-3-pyridinyl]-1,3-thiazol-2-amine is c1cc(N2CCOCC2)cc(Nc2ncc(-c3cncc(-c4cn[nH]c4)c3)s2)n1.
What is the InChIKey of N-(4-morpholin-4-yl-2-pyridinyl)-5-[5-(1H-pyrazol-4-yl)-3-pyridinyl]-1,3-thiazol-2-amine?
The InChIKey is AJRYTCKDSFVPCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N7OS/c1-2-22-19(8-17(1)27-3-5-28-6-4-27)26-20-23-13-18(29-20)15-7-14(9-21-10-15)16-11-24-25-12-16/h1-2,7-13H,3-6H2,(H,24,25)(H,22,23,26).
What are the key properties of N-(4-morpholin-4-yl-2-pyridinyl)-5-[5-(1H-pyrazol-4-yl)-3-pyridinyl]-1,3-thiazol-2-amine?
N-(4-morpholin-4-yl-2-pyridinyl)-5-[5-(1H-pyrazol-4-yl)-3-pyridinyl]-1,3-thiazol-2-amine has a molecular weight of 405.49 g/mol, XLogP of 3.57, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-morpholin-4-yl-2-pyridinyl)-5-[5-(1H-pyrazol-4-yl)-3-pyridinyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 15979395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).