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

C17H18N6OS — CID 15979020

IUPAC5-(2-methylpyrimidin-5-yl)-N-(4-morpholin-4-yl-2-pyridinyl)-1,3-thiazol-2-amine
SMILESCc1ncc(-c2cnc(Nc3cc(N4CCOCC4)ccn3)s2)cn1
InChIInChI=1S/C17H18N6OS/c1-12-19-9-13(10-20-12)15-11-21-17(25-15)22-16-8-14(2-3-18-16)23-4-6-24-7-5-23/h2-3,8-11H,4-7H2,1H3,(H,18,21,22)
InChIKeyGUJRFGVYEUFMBQ-UHFFFAOYSA-N
MW354.44 g/mol
LogP2.88
Rot. Bonds4

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

5-(2-methylpyrimidin-5-yl)-N-(4-morpholin-4-yl-2-pyridinyl)-1,3-thiazol-2-amine (PubChem CID 15979020) has the molecular formula C17H18N6OS and a molecular weight of 354.44 g/mol. Its IUPAC name is 5-(2-methylpyrimidin-5-yl)-N-(4-morpholin-4-yl-2-pyridinyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-(2-methylpyrimidin-5-yl)-N-(4-morpholin-4-yl-2-pyridinyl)-1,3-thiazol-2-amine
PubChem CID15979020
Molecular FormulaC17H18N6OS
Molecular Weight354.44 g/mol
Exact Mass354.13
IUPAC Name5-(2-methylpyrimidin-5-yl)-N-(4-morpholin-4-yl-2-pyridinyl)-1,3-thiazol-2-amine
SMILESCc1ncc(-c2cnc(Nc3cc(N4CCOCC4)ccn3)s2)cn1
InChIInChI=1S/C17H18N6OS/c1-12-19-9-13(10-20-12)15-11-21-17(25-15)22-16-8-14(2-3-18-16)23-4-6-24-7-5-23/h2-3,8-11H,4-7H2,1H3,(H,18,21,22)
InChIKeyGUJRFGVYEUFMBQ-UHFFFAOYSA-N
XLogP2.88
TPSA76.06 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.44
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 5-(2-methylpyrimidin-5-yl)-N-(4-morpholin-4-yl-2-pyridinyl)-1,3-thiazol-2-amine?
The IUPAC name of 5-(2-methylpyrimidin-5-yl)-N-(4-morpholin-4-yl-2-pyridinyl)-1,3-thiazol-2-amine (CID 15979020) is 5-(2-methylpyrimidin-5-yl)-N-(4-morpholin-4-yl-2-pyridinyl)-1,3-thiazol-2-amine.
What is the SMILES notation for 5-(2-methylpyrimidin-5-yl)-N-(4-morpholin-4-yl-2-pyridinyl)-1,3-thiazol-2-amine?
The canonical SMILES for 5-(2-methylpyrimidin-5-yl)-N-(4-morpholin-4-yl-2-pyridinyl)-1,3-thiazol-2-amine is Cc1ncc(-c2cnc(Nc3cc(N4CCOCC4)ccn3)s2)cn1.
What is the InChIKey of 5-(2-methylpyrimidin-5-yl)-N-(4-morpholin-4-yl-2-pyridinyl)-1,3-thiazol-2-amine?
The InChIKey is GUJRFGVYEUFMBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N6OS/c1-12-19-9-13(10-20-12)15-11-21-17(25-15)22-16-8-14(2-3-18-16)23-4-6-24-7-5-23/h2-3,8-11H,4-7H2,1H3,(H,18,21,22).
What are the key properties of 5-(2-methylpyrimidin-5-yl)-N-(4-morpholin-4-yl-2-pyridinyl)-1,3-thiazol-2-amine?
5-(2-methylpyrimidin-5-yl)-N-(4-morpholin-4-yl-2-pyridinyl)-1,3-thiazol-2-amine has a molecular weight of 354.44 g/mol, XLogP of 2.88, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methylpyrimidin-5-yl)-N-(4-morpholin-4-yl-2-pyridinyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 15979020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).