N-(4-morpholin-4-yl-2-pyridinyl)-5-(5-pyrimidin-5-yl-3-pyridinyl)-1,3-thiazol-2-amine

C21H19N7OS — CID 15979397

IUPACN-(4-morpholin-4-yl-2-pyridinyl)-5-(5-pyrimidin-5-yl-3-pyridinyl)-1,3-thiazol-2-amine
SMILESc1ncc(-c2cncc(-c3cnc(Nc4cc(N5CCOCC5)ccn4)s3)c2)cn1
InChIInChI=1S/C21H19N7OS/c1-2-25-20(8-18(1)28-3-5-29-6-4-28)27-21-26-13-19(30-21)16-7-15(9-22-10-16)17-11-23-14-24-12-17/h1-2,7-14H,3-6H2,(H,25,26,27)
InChIKeyCCFFFQSJNBTIIM-UHFFFAOYSA-N
MW417.50 g/mol
LogP3.64
Rot. Bonds5

About N-(4-morpholin-4-yl-2-pyridinyl)-5-(5-pyrimidin-5-yl-3-pyridinyl)-1,3-thiazol-2-amine

N-(4-morpholin-4-yl-2-pyridinyl)-5-(5-pyrimidin-5-yl-3-pyridinyl)-1,3-thiazol-2-amine (PubChem CID 15979397) has the molecular formula C21H19N7OS and a molecular weight of 417.50 g/mol. Its IUPAC name is N-(4-morpholin-4-yl-2-pyridinyl)-5-(5-pyrimidin-5-yl-3-pyridinyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-(4-morpholin-4-yl-2-pyridinyl)-5-(5-pyrimidin-5-yl-3-pyridinyl)-1,3-thiazol-2-amine
PubChem CID15979397
Molecular FormulaC21H19N7OS
Molecular Weight417.50 g/mol
Exact Mass417.14
IUPAC NameN-(4-morpholin-4-yl-2-pyridinyl)-5-(5-pyrimidin-5-yl-3-pyridinyl)-1,3-thiazol-2-amine
SMILESc1ncc(-c2cncc(-c3cnc(Nc4cc(N5CCOCC5)ccn4)s3)c2)cn1
InChIInChI=1S/C21H19N7OS/c1-2-25-20(8-18(1)28-3-5-29-6-4-28)27-21-26-13-19(30-21)16-7-15(9-22-10-16)17-11-23-14-24-12-17/h1-2,7-14H,3-6H2,(H,25,26,27)
InChIKeyCCFFFQSJNBTIIM-UHFFFAOYSA-N
XLogP3.64
TPSA88.95 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.50
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of N-(4-morpholin-4-yl-2-pyridinyl)-5-(5-pyrimidin-5-yl-3-pyridinyl)-1,3-thiazol-2-amine?
The IUPAC name of N-(4-morpholin-4-yl-2-pyridinyl)-5-(5-pyrimidin-5-yl-3-pyridinyl)-1,3-thiazol-2-amine (CID 15979397) is N-(4-morpholin-4-yl-2-pyridinyl)-5-(5-pyrimidin-5-yl-3-pyridinyl)-1,3-thiazol-2-amine.
What is the SMILES notation for N-(4-morpholin-4-yl-2-pyridinyl)-5-(5-pyrimidin-5-yl-3-pyridinyl)-1,3-thiazol-2-amine?
The canonical SMILES for N-(4-morpholin-4-yl-2-pyridinyl)-5-(5-pyrimidin-5-yl-3-pyridinyl)-1,3-thiazol-2-amine is c1ncc(-c2cncc(-c3cnc(Nc4cc(N5CCOCC5)ccn4)s3)c2)cn1.
What is the InChIKey of N-(4-morpholin-4-yl-2-pyridinyl)-5-(5-pyrimidin-5-yl-3-pyridinyl)-1,3-thiazol-2-amine?
The InChIKey is CCFFFQSJNBTIIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N7OS/c1-2-25-20(8-18(1)28-3-5-29-6-4-28)27-21-26-13-19(30-21)16-7-15(9-22-10-16)17-11-23-14-24-12-17/h1-2,7-14H,3-6H2,(H,25,26,27).
What are the key properties of N-(4-morpholin-4-yl-2-pyridinyl)-5-(5-pyrimidin-5-yl-3-pyridinyl)-1,3-thiazol-2-amine?
N-(4-morpholin-4-yl-2-pyridinyl)-5-(5-pyrimidin-5-yl-3-pyridinyl)-1,3-thiazol-2-amine has a molecular weight of 417.50 g/mol, XLogP of 3.64, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-morpholin-4-yl-2-pyridinyl)-5-(5-pyrimidin-5-yl-3-pyridinyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 15979397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).