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

C14H17N3OS — CID 60685189

IUPAC4-morpholin-4-yl-N-(1,3-thiazol-4-ylmethyl)aniline
SMILESc1nc(CNc2ccc(N3CCOCC3)cc2)cs1
InChIInChI=1S/C14H17N3OS/c1-3-14(17-5-7-18-8-6-17)4-2-12(1)15-9-13-10-19-11-16-13/h1-4,10-11,15H,5-9H2
InChIKeyWTHMYPQLBDWHSP-UHFFFAOYSA-N
MW275.38 g/mol
LogP2.59
Rot. Bonds4

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

4-morpholin-4-yl-N-(1,3-thiazol-4-ylmethyl)aniline (PubChem CID 60685189) has the molecular formula C14H17N3OS and a molecular weight of 275.38 g/mol. Its IUPAC name is 4-morpholin-4-yl-N-(1,3-thiazol-4-ylmethyl)aniline.

Molecular Properties

Compound Name4-morpholin-4-yl-N-(1,3-thiazol-4-ylmethyl)aniline
PubChem CID60685189
Molecular FormulaC14H17N3OS
Molecular Weight275.38 g/mol
Exact Mass275.11
IUPAC Name4-morpholin-4-yl-N-(1,3-thiazol-4-ylmethyl)aniline
SMILESc1nc(CNc2ccc(N3CCOCC3)cc2)cs1
InChIInChI=1S/C14H17N3OS/c1-3-14(17-5-7-18-8-6-17)4-2-12(1)15-9-13-10-19-11-16-13/h1-4,10-11,15H,5-9H2
InChIKeyWTHMYPQLBDWHSP-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

Computed Properties (RDKit)

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

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Related Compounds

4-morpholin-4-yl-N-(pyrimidin-2-ylmethyl)aniline
CID 63180269
3-pyrrolidin-1-yl-N-(1,3-thiazol-4-ylmethyl)aniline
CID 61169274
2-[methyl(1,3-thiazol-4-ylmethyl)amino]-N-(4-morpholin-4-ylphenyl)propanamide
CID 47076192
4-methoxy-N-(1,3-thiazol-4-ylmethyl)aniline
CID 60685427
N-[[2-(furan-2-yl)pyrimidin-4-yl]methyl]-4-morpholin-4-ylaniline
CID 141322748
N-(1,3-thiazol-4-ylmethyl)-3,4-dihydro-2H-1,5-benzodioxepin-7-amine
CID 60696357
N-[(1-methylimidazol-2-yl)methyl]-4-morpholin-4-ylaniline
CID 60685164
N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-4-morpholin-4-ylaniline
CID 65439905
6-methyl-N-(1,3-thiazol-4-ylmethyl)pyridin-3-amine
CID 81497978
3-(4-ethylpiperazin-1-yl)-N-(1,3-thiazol-4-ylmethyl)aniline
CID 99834704
2-methyl-4-pyrrolidin-1-yl-N-(1,3-thiazol-4-ylmethyl)aniline
CID 60696611
N-(2,2-dimethylpropyl)-4-morpholin-4-ylaniline
CID 20785895

Frequently Asked Questions

What is the IUPAC name of 4-morpholin-4-yl-N-(1,3-thiazol-4-ylmethyl)aniline?
The IUPAC name of 4-morpholin-4-yl-N-(1,3-thiazol-4-ylmethyl)aniline (CID 60685189) is 4-morpholin-4-yl-N-(1,3-thiazol-4-ylmethyl)aniline.
What is the SMILES notation for 4-morpholin-4-yl-N-(1,3-thiazol-4-ylmethyl)aniline?
The canonical SMILES for 4-morpholin-4-yl-N-(1,3-thiazol-4-ylmethyl)aniline is c1nc(CNc2ccc(N3CCOCC3)cc2)cs1.
What is the InChIKey of 4-morpholin-4-yl-N-(1,3-thiazol-4-ylmethyl)aniline?
The InChIKey is WTHMYPQLBDWHSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3OS/c1-3-14(17-5-7-18-8-6-17)4-2-12(1)15-9-13-10-19-11-16-13/h1-4,10-11,15H,5-9H2.
What are the key properties of 4-morpholin-4-yl-N-(1,3-thiazol-4-ylmethyl)aniline?
4-morpholin-4-yl-N-(1,3-thiazol-4-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 4-morpholin-4-yl-N-(1,3-thiazol-4-ylmethyl)aniline is sourced from PubChem (CID 60685189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).