2-morpholin-4-yl-N-(1,3-thiazol-2-ylmethyl)aniline

C14H17N3OS — CID 63656413

IUPAC2-morpholin-4-yl-N-(1,3-thiazol-2-ylmethyl)aniline
SMILESc1ccc(N2CCOCC2)c(NCc2nccs2)c1
InChIInChI=1S/C14H17N3OS/c1-2-4-13(17-6-8-18-9-7-17)12(3-1)16-11-14-15-5-10-19-14/h1-5,10,16H,6-9,11H2
InChIKeyZGPOBHVSUCRIHY-UHFFFAOYSA-N
MW275.38 g/mol
LogP2.59
Rot. Bonds4

About 2-morpholin-4-yl-N-(1,3-thiazol-2-ylmethyl)aniline

2-morpholin-4-yl-N-(1,3-thiazol-2-ylmethyl)aniline (PubChem CID 63656413) has the molecular formula C14H17N3OS and a molecular weight of 275.38 g/mol. Its IUPAC name is 2-morpholin-4-yl-N-(1,3-thiazol-2-ylmethyl)aniline.

Molecular Properties

Compound Name2-morpholin-4-yl-N-(1,3-thiazol-2-ylmethyl)aniline
PubChem CID63656413
Molecular FormulaC14H17N3OS
Molecular Weight275.38 g/mol
Exact Mass275.11
IUPAC Name2-morpholin-4-yl-N-(1,3-thiazol-2-ylmethyl)aniline
SMILESc1ccc(N2CCOCC2)c(NCc2nccs2)c1
InChIInChI=1S/C14H17N3OS/c1-2-4-13(17-6-8-18-9-7-17)12(3-1)16-11-14-15-5-10-19-14/h1-5,10,16H,6-9,11H2
InChIKeyZGPOBHVSUCRIHY-UHFFFAOYSA-N
XLogP2.59
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.38
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-morpholin-4-yl-N-(pyridin-4-ylmethyl)aniline
CID 43229589
2-(2-morpholin-4-ylanilino)-N-(pyridin-2-ylmethyl)acetamide
CID 108999300
[5-[(2-morpholin-4-ylanilino)methyl]furan-2-yl]methanol
CID 64580535
3-(2-morpholin-4-ylanilino)-N-(pyridin-2-ylmethyl)propanamide
CID 109023269
N-[(3-ethylimidazol-4-yl)methyl]-2-morpholin-4-ylaniline
CID 66134412
2-morpholin-4-yl-N-(oxan-4-ylmethyl)aniline
CID 62385049
2-(1,3-thiazol-2-ylmethylamino)benzoic acid
CID 62231705
1-(2-pyrrolidin-1-ylphenyl)-N-(1,3-thiazol-2-ylmethyl)methanamine
CID 60961154
1-amino-N-(2-morpholin-4-ylphenyl)cyclopropane-1-carboxamide
CID 65466155
2-morpholin-4-yl-N-(2-morpholin-4-ylphenyl)pyrimidin-4-amine
CID 112886633
N-[(3-methylthiophen-2-yl)methyl]-2-piperidin-1-ylaniline
CID 30052168
2-[(2-piperidin-1-ylanilino)methyl]thiophen-3-amine
CID 66385103

Frequently Asked Questions

What is the IUPAC name of 2-morpholin-4-yl-N-(1,3-thiazol-2-ylmethyl)aniline?
The IUPAC name of 2-morpholin-4-yl-N-(1,3-thiazol-2-ylmethyl)aniline (CID 63656413) is 2-morpholin-4-yl-N-(1,3-thiazol-2-ylmethyl)aniline.
What is the SMILES notation for 2-morpholin-4-yl-N-(1,3-thiazol-2-ylmethyl)aniline?
The canonical SMILES for 2-morpholin-4-yl-N-(1,3-thiazol-2-ylmethyl)aniline is c1ccc(N2CCOCC2)c(NCc2nccs2)c1.
What is the InChIKey of 2-morpholin-4-yl-N-(1,3-thiazol-2-ylmethyl)aniline?
The InChIKey is ZGPOBHVSUCRIHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3OS/c1-2-4-13(17-6-8-18-9-7-17)12(3-1)16-11-14-15-5-10-19-14/h1-5,10,16H,6-9,11H2.
What are the key properties of 2-morpholin-4-yl-N-(1,3-thiazol-2-ylmethyl)aniline?
2-morpholin-4-yl-N-(1,3-thiazol-2-ylmethyl)aniline has a molecular weight of 275.38 g/mol, XLogP of 2.59, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-morpholin-4-yl-N-(1,3-thiazol-2-ylmethyl)aniline is sourced from PubChem (CID 63656413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).