1-(4-benzylmorpholin-2-yl)-N-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methyl]methanamine

C20H23N5OS — CID 47052259

IUPAC1-(4-benzylmorpholin-2-yl)-N-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methyl]methanamine
SMILESc1ccc(CN2CCOC(CNCc3csc(-c4ncccn4)n3)C2)cc1
InChIInChI=1S/C20H23N5OS/c1-2-5-16(6-3-1)13-25-9-10-26-18(14-25)12-21-11-17-15-27-20(24-17)19-22-7-4-8-23-19/h1-8,15,18,21H,9-14H2
InChIKeyVNEUNYYCZYEHOH-UHFFFAOYSA-N
MW381.51 g/mol
LogP2.59
Rot. Bonds7

About 1-(4-benzylmorpholin-2-yl)-N-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methyl]methanamine

1-(4-benzylmorpholin-2-yl)-N-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methyl]methanamine (PubChem CID 47052259) has the molecular formula C20H23N5OS and a molecular weight of 381.51 g/mol. Its IUPAC name is 1-(4-benzylmorpholin-2-yl)-N-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methyl]methanamine.

Molecular Properties

Compound Name1-(4-benzylmorpholin-2-yl)-N-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methyl]methanamine
PubChem CID47052259
Molecular FormulaC20H23N5OS
Molecular Weight381.51 g/mol
Exact Mass381.16
IUPAC Name1-(4-benzylmorpholin-2-yl)-N-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methyl]methanamine
SMILESc1ccc(CN2CCOC(CNCc3csc(-c4ncccn4)n3)C2)cc1
InChIInChI=1S/C20H23N5OS/c1-2-5-16(6-3-1)13-25-9-10-26-18(14-25)12-21-11-17-15-27-20(24-17)19-22-7-4-8-23-19/h1-8,15,18,21H,9-14H2
InChIKeyVNEUNYYCZYEHOH-UHFFFAOYSA-N
XLogP2.59
TPSA63.17 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.51
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 1-(4-benzylmorpholin-2-yl)-N-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methyl]methanamine with MolForge

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Related Compounds

Cyc-116
CID 6420138
N4-isobutyl-N2-((2-phenylthiazol-4-yl)methyl)pyrimidine-2,4-diamine
CID 71304818
4-(2,4-Dimethylthiazol-5-yl)-N-(4-morpholinophenyl)pyrimidin-2-amine
CID 10248401
2-[4-[4-[[4-(2,4-Dimethyl-1,3-thiazol-5-yl)pyrimidin-2-yl]amino]phenyl]piperazin-1-yl]ethanol
CID 10251020
N-Ethyl-4-methyl-5-(2-(4-morpholinophenylamino)pyrimidin-4-yl)thiazol-2-amine
CID 10340715
N,4-Dimethyl-5-(2-(4-morpholinophenylamino)pyrimidin-4-yl)thiazol-2-amine
CID 10430000
(2-Methyl-4,5-dihydro-thiazolo[4,5-h]quinazolin-8-yl)-(4-morpholin-4-yl-phenyl)-amine
CID 11199830
5-(2-methylpyrimidin-5-yl)-N-(4-morpholin-4-yl-2-pyridinyl)-1,3-thiazol-2-amine
CID 15979020
5-[5-(3-aminopropyl)-3-pyridinyl]-N-(4-morpholin-4-yl-2-pyridinyl)-1,3-thiazol-2-amine
CID 15980475
N-(5-(2-(cyclohexyloxy)-5-methylpyrimidin-4-yl)thiazol-2-yl)pyridin-2-amine
CID 44413527
(2-(2-(3,5-Dimethylphenylamino)pyrimidin-4-yl)thiazol-4-yl)methanol
CID 44590205
5-[5-[(E)-3-aminoprop-1-enyl]-3-pyridinyl]-N-(4-morpholin-4-yl-2-pyridinyl)-1,3-thiazol-2-amine
CID 57867523

Frequently Asked Questions

What is the IUPAC name of 1-(4-benzylmorpholin-2-yl)-N-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methyl]methanamine?
The IUPAC name of 1-(4-benzylmorpholin-2-yl)-N-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methyl]methanamine (CID 47052259) is 1-(4-benzylmorpholin-2-yl)-N-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methyl]methanamine.
What is the SMILES notation for 1-(4-benzylmorpholin-2-yl)-N-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methyl]methanamine?
The canonical SMILES for 1-(4-benzylmorpholin-2-yl)-N-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methyl]methanamine is c1ccc(CN2CCOC(CNCc3csc(-c4ncccn4)n3)C2)cc1.
What is the InChIKey of 1-(4-benzylmorpholin-2-yl)-N-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methyl]methanamine?
The InChIKey is VNEUNYYCZYEHOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5OS/c1-2-5-16(6-3-1)13-25-9-10-26-18(14-25)12-21-11-17-15-27-20(24-17)19-22-7-4-8-23-19/h1-8,15,18,21H,9-14H2.
What are the key properties of 1-(4-benzylmorpholin-2-yl)-N-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methyl]methanamine?
1-(4-benzylmorpholin-2-yl)-N-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methyl]methanamine has a molecular weight of 381.51 g/mol, XLogP of 2.59, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-benzylmorpholin-2-yl)-N-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methyl]methanamine is sourced from PubChem (CID 47052259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).