N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-4-morpholin-4-ylaniline

C16H21N3OS — CID 65439905

IUPACN-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-4-morpholin-4-ylaniline
SMILESCc1nc(C)c(CNc2ccc(N3CCOCC3)cc2)s1
InChIInChI=1S/C16H21N3OS/c1-12-16(21-13(2)18-12)11-17-14-3-5-15(6-4-14)19-7-9-20-10-8-19/h3-6,17H,7-11H2,1-2H3
InChIKeyWIANEDLHZSUPSU-UHFFFAOYSA-N
MW303.43 g/mol
LogP3.21
Rot. Bonds4

About N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-4-morpholin-4-ylaniline

N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-4-morpholin-4-ylaniline (PubChem CID 65439905) has the molecular formula C16H21N3OS and a molecular weight of 303.43 g/mol. Its IUPAC name is N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-4-morpholin-4-ylaniline.

Molecular Properties

Compound NameN-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-4-morpholin-4-ylaniline
PubChem CID65439905
Molecular FormulaC16H21N3OS
Molecular Weight303.43 g/mol
Exact Mass303.14
IUPAC NameN-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-4-morpholin-4-ylaniline
SMILESCc1nc(C)c(CNc2ccc(N3CCOCC3)cc2)s1
InChIInChI=1S/C16H21N3OS/c1-12-16(21-13(2)18-12)11-17-14-3-5-15(6-4-14)19-7-9-20-10-8-19/h3-6,17H,7-11H2,1-2H3
InChIKeyWIANEDLHZSUPSU-UHFFFAOYSA-N
XLogP3.21
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.43
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-4-morpholin-4-ylpyridine-2-carboxamide
CID 86804680
N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-4-morpholin-4-ylaniline
CID 43644963
N-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-4-morpholin-4-ylaniline
CID 63172359
4-morpholin-4-yl-N-(pyrimidin-2-ylmethyl)aniline
CID 63180269
4-morpholin-4-yl-N-(1,3-thiazol-4-ylmethyl)aniline
CID 60685189
N-(2,2-dimethylpropyl)-4-morpholin-4-ylaniline
CID 20785895
2-(2,4-dimethyl-1,3-thiazol-5-yl)-N-(4-piperidin-1-ylphenyl)acetamide
CID 110328814
N-[(1-methylimidazol-2-yl)methyl]-4-morpholin-4-ylaniline
CID 60685164
N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-4-methyloxan-4-amine
CID 115758035
N-[(3-methylthiophen-2-yl)methyl]-6-morpholin-4-ylpyridin-3-amine
CID 43724746
[(2R)-1-(4-morpholin-4-ylanilino)-1-oxopropan-2-yl] 2,4-dimethyl-1,3-thiazole-5-carboxylate
CID 7259049
N-butyl-4-morpholin-4-ylaniline
CID 28675754

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-4-morpholin-4-ylaniline?
The IUPAC name of N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-4-morpholin-4-ylaniline (CID 65439905) is N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-4-morpholin-4-ylaniline.
What is the SMILES notation for N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-4-morpholin-4-ylaniline?
The canonical SMILES for N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-4-morpholin-4-ylaniline is Cc1nc(C)c(CNc2ccc(N3CCOCC3)cc2)s1.
What is the InChIKey of N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-4-morpholin-4-ylaniline?
The InChIKey is WIANEDLHZSUPSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3OS/c1-12-16(21-13(2)18-12)11-17-14-3-5-15(6-4-14)19-7-9-20-10-8-19/h3-6,17H,7-11H2,1-2H3.
What are the key properties of N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-4-morpholin-4-ylaniline?
N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-4-morpholin-4-ylaniline has a molecular weight of 303.43 g/mol, XLogP of 3.21, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-4-morpholin-4-ylaniline is sourced from PubChem (CID 65439905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).