1-(4-morpholin-4-ylphenyl)-N-(1,3-thiazol-5-ylmethyl)methanamine

C15H19N3OS — CID 115732148

IUPAC1-(4-morpholin-4-ylphenyl)-N-(1,3-thiazol-5-ylmethyl)methanamine
SMILESc1ncc(CNCc2ccc(N3CCOCC3)cc2)s1
InChIInChI=1S/C15H19N3OS/c1-3-14(18-5-7-19-8-6-18)4-2-13(1)9-16-10-15-11-17-12-20-15/h1-4,11-12,16H,5-10H2
InChIKeyIZAQHXVBXFSCIG-UHFFFAOYSA-N
MW289.40 g/mol
LogP2.27
Rot. Bonds5

About 1-(4-morpholin-4-ylphenyl)-N-(1,3-thiazol-5-ylmethyl)methanamine

1-(4-morpholin-4-ylphenyl)-N-(1,3-thiazol-5-ylmethyl)methanamine (PubChem CID 115732148) has the molecular formula C15H19N3OS and a molecular weight of 289.40 g/mol. Its IUPAC name is 1-(4-morpholin-4-ylphenyl)-N-(1,3-thiazol-5-ylmethyl)methanamine.

Molecular Properties

Compound Name1-(4-morpholin-4-ylphenyl)-N-(1,3-thiazol-5-ylmethyl)methanamine
PubChem CID115732148
Molecular FormulaC15H19N3OS
Molecular Weight289.40 g/mol
Exact Mass289.12
IUPAC Name1-(4-morpholin-4-ylphenyl)-N-(1,3-thiazol-5-ylmethyl)methanamine
SMILESc1ncc(CNCc2ccc(N3CCOCC3)cc2)s1
InChIInChI=1S/C15H19N3OS/c1-3-14(18-5-7-19-8-6-18)4-2-13(1)9-16-10-15-11-17-12-20-15/h1-4,11-12,16H,5-10H2
InChIKeyIZAQHXVBXFSCIG-UHFFFAOYSA-N
XLogP2.27
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.40
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

1-[4-[(1,3-thiazol-5-ylmethylamino)methyl]phenyl]pyrrolidin-2-one
CID 62760532
1-(4-bromophenyl)-N-(1,3-thiazol-5-ylmethyl)methanamine
CID 62760159
N-[(4-morpholin-4-ylphenyl)methyl]pyrimidin-5-amine
CID 107588098
N-[(4-morpholin-4-ylphenyl)methyl]but-2-yn-1-amine
CID 113342036
2-imidazol-1-yl-N-[(4-morpholin-4-ylphenyl)methyl]ethanamine
CID 60658076
1-[(4-morpholin-4-ylphenyl)methylamino]-2-thiophen-2-ylpropan-2-ol
CID 111440525
(E)-N-[(4-morpholin-4-ylphenyl)methyl]pent-3-en-1-amine
CID 115629182
3-methyl-1-[(4-morpholin-4-ylphenyl)methylamino]butan-2-ol
CID 111422027
2-cyclobutyl-N-[(4-morpholin-4-ylphenyl)methyl]ethanamine
CID 115690242
1-(2-pyrrolidin-1-ylphenyl)-N-(1,3-thiazol-5-ylmethyl)methanamine
CID 115732323
2-methyl-3-[(4-morpholin-4-ylphenyl)methylamino]propanenitrile
CID 55101596
1-methyl-N-[(4-morpholin-4-ylphenyl)methyl]cyclobutan-1-amine
CID 115765831

Frequently Asked Questions

What is the IUPAC name of 1-(4-morpholin-4-ylphenyl)-N-(1,3-thiazol-5-ylmethyl)methanamine?
The IUPAC name of 1-(4-morpholin-4-ylphenyl)-N-(1,3-thiazol-5-ylmethyl)methanamine (CID 115732148) is 1-(4-morpholin-4-ylphenyl)-N-(1,3-thiazol-5-ylmethyl)methanamine.
What is the SMILES notation for 1-(4-morpholin-4-ylphenyl)-N-(1,3-thiazol-5-ylmethyl)methanamine?
The canonical SMILES for 1-(4-morpholin-4-ylphenyl)-N-(1,3-thiazol-5-ylmethyl)methanamine is c1ncc(CNCc2ccc(N3CCOCC3)cc2)s1.
What is the InChIKey of 1-(4-morpholin-4-ylphenyl)-N-(1,3-thiazol-5-ylmethyl)methanamine?
The InChIKey is IZAQHXVBXFSCIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3OS/c1-3-14(18-5-7-19-8-6-18)4-2-13(1)9-16-10-15-11-17-12-20-15/h1-4,11-12,16H,5-10H2.
What are the key properties of 1-(4-morpholin-4-ylphenyl)-N-(1,3-thiazol-5-ylmethyl)methanamine?
1-(4-morpholin-4-ylphenyl)-N-(1,3-thiazol-5-ylmethyl)methanamine has a molecular weight of 289.40 g/mol, XLogP of 2.27, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-morpholin-4-ylphenyl)-N-(1,3-thiazol-5-ylmethyl)methanamine is sourced from PubChem (CID 115732148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).