N-ethyl-5-(2-morpholin-4-ylpyrimidin-4-yl)-4-pyridin-3-yl-1,3-thiazol-2-amine

C18H20N6OS — CID 118741408

IUPACN-ethyl-5-(2-morpholin-4-ylpyrimidin-4-yl)-4-pyridin-3-yl-1,3-thiazol-2-amine
SMILESCCNc1nc(-c2cccnc2)c(-c2ccnc(N3CCOCC3)n2)s1
InChIInChI=1S/C18H20N6OS/c1-2-20-18-23-15(13-4-3-6-19-12-13)16(26-18)14-5-7-21-17(22-14)24-8-10-25-11-9-24/h3-7,12H,2,8-11H2,1H3,(H,20,23)
InChIKeyLMYIVDBVYKYMLX-UHFFFAOYSA-N
MW368.47 g/mol
LogP2.93
Rot. Bonds5

About N-ethyl-5-(2-morpholin-4-ylpyrimidin-4-yl)-4-pyridin-3-yl-1,3-thiazol-2-amine

N-ethyl-5-(2-morpholin-4-ylpyrimidin-4-yl)-4-pyridin-3-yl-1,3-thiazol-2-amine (PubChem CID 118741408) has the molecular formula C18H20N6OS and a molecular weight of 368.47 g/mol. Its IUPAC name is N-ethyl-5-(2-morpholin-4-ylpyrimidin-4-yl)-4-pyridin-3-yl-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-ethyl-5-(2-morpholin-4-ylpyrimidin-4-yl)-4-pyridin-3-yl-1,3-thiazol-2-amine
PubChem CID118741408
Molecular FormulaC18H20N6OS
Molecular Weight368.47 g/mol
Exact Mass368.14
IUPAC NameN-ethyl-5-(2-morpholin-4-ylpyrimidin-4-yl)-4-pyridin-3-yl-1,3-thiazol-2-amine
SMILESCCNc1nc(-c2cccnc2)c(-c2ccnc(N3CCOCC3)n2)s1
InChIInChI=1S/C18H20N6OS/c1-2-20-18-23-15(13-4-3-6-19-12-13)16(26-18)14-5-7-21-17(22-14)24-8-10-25-11-9-24/h3-7,12H,2,8-11H2,1H3,(H,20,23)
InChIKeyLMYIVDBVYKYMLX-UHFFFAOYSA-N
XLogP2.93
TPSA76.06 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.47
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-5-(2-morpholin-4-ylpyrimidin-4-yl)-4-pyridin-3-yl-1,3-thiazol-2-amine?
The IUPAC name of N-ethyl-5-(2-morpholin-4-ylpyrimidin-4-yl)-4-pyridin-3-yl-1,3-thiazol-2-amine (CID 118741408) is N-ethyl-5-(2-morpholin-4-ylpyrimidin-4-yl)-4-pyridin-3-yl-1,3-thiazol-2-amine.
What is the SMILES notation for N-ethyl-5-(2-morpholin-4-ylpyrimidin-4-yl)-4-pyridin-3-yl-1,3-thiazol-2-amine?
The canonical SMILES for N-ethyl-5-(2-morpholin-4-ylpyrimidin-4-yl)-4-pyridin-3-yl-1,3-thiazol-2-amine is CCNc1nc(-c2cccnc2)c(-c2ccnc(N3CCOCC3)n2)s1.
What is the InChIKey of N-ethyl-5-(2-morpholin-4-ylpyrimidin-4-yl)-4-pyridin-3-yl-1,3-thiazol-2-amine?
The InChIKey is LMYIVDBVYKYMLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N6OS/c1-2-20-18-23-15(13-4-3-6-19-12-13)16(26-18)14-5-7-21-17(22-14)24-8-10-25-11-9-24/h3-7,12H,2,8-11H2,1H3,(H,20,23).
What are the key properties of N-ethyl-5-(2-morpholin-4-ylpyrimidin-4-yl)-4-pyridin-3-yl-1,3-thiazol-2-amine?
N-ethyl-5-(2-morpholin-4-ylpyrimidin-4-yl)-4-pyridin-3-yl-1,3-thiazol-2-amine has a molecular weight of 368.47 g/mol, XLogP of 2.93, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-5-(2-morpholin-4-ylpyrimidin-4-yl)-4-pyridin-3-yl-1,3-thiazol-2-amine is sourced from PubChem (CID 118741408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).