5-(6-methyl-3-pyridinyl)-N-(4-morpholin-4-yl-2-pyridinyl)-1,3-thiazol-2-amine

C18H19N5OS — CID 15979013

IUPAC5-(6-methyl-3-pyridinyl)-N-(4-morpholin-4-yl-2-pyridinyl)-1,3-thiazol-2-amine
SMILESCc1ccc(-c2cnc(Nc3cc(N4CCOCC4)ccn3)s2)cn1
InChIInChI=1S/C18H19N5OS/c1-13-2-3-14(11-20-13)16-12-21-18(25-16)22-17-10-15(4-5-19-17)23-6-8-24-9-7-23/h2-5,10-12H,6-9H2,1H3,(H,19,21,22)
InChIKeyXCQBZKZZHKGYNR-UHFFFAOYSA-N
MW353.45 g/mol
LogP3.49
Rot. Bonds4

About 5-(6-methyl-3-pyridinyl)-N-(4-morpholin-4-yl-2-pyridinyl)-1,3-thiazol-2-amine

5-(6-methyl-3-pyridinyl)-N-(4-morpholin-4-yl-2-pyridinyl)-1,3-thiazol-2-amine (PubChem CID 15979013) has the molecular formula C18H19N5OS and a molecular weight of 353.45 g/mol. Its IUPAC name is 5-(6-methyl-3-pyridinyl)-N-(4-morpholin-4-yl-2-pyridinyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-(6-methyl-3-pyridinyl)-N-(4-morpholin-4-yl-2-pyridinyl)-1,3-thiazol-2-amine
PubChem CID15979013
Molecular FormulaC18H19N5OS
Molecular Weight353.45 g/mol
Exact Mass353.13
IUPAC Name5-(6-methyl-3-pyridinyl)-N-(4-morpholin-4-yl-2-pyridinyl)-1,3-thiazol-2-amine
SMILESCc1ccc(-c2cnc(Nc3cc(N4CCOCC4)ccn3)s2)cn1
InChIInChI=1S/C18H19N5OS/c1-13-2-3-14(11-20-13)16-12-21-18(25-16)22-17-10-15(4-5-19-17)23-6-8-24-9-7-23/h2-5,10-12H,6-9H2,1H3,(H,19,21,22)
InChIKeyXCQBZKZZHKGYNR-UHFFFAOYSA-N
XLogP3.49
TPSA63.17 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.45
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-(6-methyl-3-pyridinyl)-N-(4-morpholin-4-yl-2-pyridinyl)-1,3-thiazol-2-amine?
The IUPAC name of 5-(6-methyl-3-pyridinyl)-N-(4-morpholin-4-yl-2-pyridinyl)-1,3-thiazol-2-amine (CID 15979013) is 5-(6-methyl-3-pyridinyl)-N-(4-morpholin-4-yl-2-pyridinyl)-1,3-thiazol-2-amine.
What is the SMILES notation for 5-(6-methyl-3-pyridinyl)-N-(4-morpholin-4-yl-2-pyridinyl)-1,3-thiazol-2-amine?
The canonical SMILES for 5-(6-methyl-3-pyridinyl)-N-(4-morpholin-4-yl-2-pyridinyl)-1,3-thiazol-2-amine is Cc1ccc(-c2cnc(Nc3cc(N4CCOCC4)ccn3)s2)cn1.
What is the InChIKey of 5-(6-methyl-3-pyridinyl)-N-(4-morpholin-4-yl-2-pyridinyl)-1,3-thiazol-2-amine?
The InChIKey is XCQBZKZZHKGYNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5OS/c1-13-2-3-14(11-20-13)16-12-21-18(25-16)22-17-10-15(4-5-19-17)23-6-8-24-9-7-23/h2-5,10-12H,6-9H2,1H3,(H,19,21,22).
What are the key properties of 5-(6-methyl-3-pyridinyl)-N-(4-morpholin-4-yl-2-pyridinyl)-1,3-thiazol-2-amine?
5-(6-methyl-3-pyridinyl)-N-(4-morpholin-4-yl-2-pyridinyl)-1,3-thiazol-2-amine has a molecular weight of 353.45 g/mol, XLogP of 3.49, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(6-methyl-3-pyridinyl)-N-(4-morpholin-4-yl-2-pyridinyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 15979013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).