5-[[2-(3,4-difluorophenyl)morpholin-4-yl]methyl]-1,3-thiazol-2-amine;hydrochloride

C14H16ClF2N3OS — CID 120899753

IUPAC5-[[2-(3,4-difluorophenyl)morpholin-4-yl]methyl]-1,3-thiazol-2-amine;hydrochloride
SMILESCl.Nc1ncc(CN2CCOC(c3ccc(F)c(F)c3)C2)s1
InChIInChI=1S/C14H15F2N3OS.ClH/c15-11-2-1-9(5-12(11)16)13-8-19(3-4-20-13)7-10-6-18-14(17)21-10;/h1-2,5-6,13H,3-4,7-8H2,(H2,17,18);1H
InChIKeyJAFVWTUUQWNSMC-UHFFFAOYSA-N
MW347.82 g/mol
LogP3.00
Rot. Bonds3

About 5-[[2-(3,4-difluorophenyl)morpholin-4-yl]methyl]-1,3-thiazol-2-amine;hydrochloride

5-[[2-(3,4-difluorophenyl)morpholin-4-yl]methyl]-1,3-thiazol-2-amine;hydrochloride (PubChem CID 120899753) has the molecular formula C14H16ClF2N3OS and a molecular weight of 347.82 g/mol. Its IUPAC name is 5-[[2-(3,4-difluorophenyl)morpholin-4-yl]methyl]-1,3-thiazol-2-amine;hydrochloride.

Molecular Properties

Compound Name5-[[2-(3,4-difluorophenyl)morpholin-4-yl]methyl]-1,3-thiazol-2-amine;hydrochloride
PubChem CID120899753
Molecular FormulaC14H16ClF2N3OS
Molecular Weight347.82 g/mol
Exact Mass347.07
IUPAC Name5-[[2-(3,4-difluorophenyl)morpholin-4-yl]methyl]-1,3-thiazol-2-amine;hydrochloride
SMILESCl.Nc1ncc(CN2CCOC(c3ccc(F)c(F)c3)C2)s1
InChIInChI=1S/C14H15F2N3OS.ClH/c15-11-2-1-9(5-12(11)16)13-8-19(3-4-20-13)7-10-6-18-14(17)21-10;/h1-2,5-6,13H,3-4,7-8H2,(H2,17,18);1H
InChIKeyJAFVWTUUQWNSMC-UHFFFAOYSA-N
XLogP3.00
TPSA51.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.82
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-[[2-(3,4-difluorophenyl)morpholin-4-yl]methyl]-1,3-thiazol-2-amine;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-[[2-(4-fluorophenyl)morpholin-4-yl]methyl]-1,3-thiazol-2-amine;hydrochloride
CID 120898617
5-[[2-(4-chlorophenyl)morpholin-4-yl]methyl]-1,3-thiazol-2-amine;hydrochloride
CID 120898548
5-[[2-(2-chloro-4-fluorophenyl)morpholin-4-yl]methyl]-1,3-thiazol-2-amine;hydrochloride
CID 120904693
5-[[2-(2-chlorophenyl)morpholin-4-yl]methyl]-1,3-thiazol-2-amine
CID 120899965
2-(3,4-difluorophenyl)-4-[(4-methyl-1H-pyrazol-5-yl)methyl]morpholine
CID 126808566
[3-[[2-(3,4-difluorophenyl)morpholin-4-yl]methyl]-1,2,4-oxadiazol-5-yl]methanamine
CID 120751685
5-[(2-ethylmorpholin-4-yl)methyl]-1,3-thiazol-2-amine
CID 79771446
5-[[2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]methyl]-1,3-thiazol-2-amine;hydrochloride
CID 120897248
5-[[3-(4-chlorophenyl)piperidin-1-yl]methyl]-1,3-thiazol-2-amine
CID 131944851
2-[2-[2-(3,4-difluorophenyl)morpholin-4-yl]ethoxy]ethanol
CID 111432790
5-[(3-phenylpyrrolidin-1-yl)methyl]-1,3-thiazol-2-amine
CID 79772023
2-fluoro-4-[4-(2-methylpropyl)morpholin-2-yl]aniline
CID 174794681

Frequently Asked Questions

What is the IUPAC name of 5-[[2-(3,4-difluorophenyl)morpholin-4-yl]methyl]-1,3-thiazol-2-amine;hydrochloride?
The IUPAC name of 5-[[2-(3,4-difluorophenyl)morpholin-4-yl]methyl]-1,3-thiazol-2-amine;hydrochloride (CID 120899753) is 5-[[2-(3,4-difluorophenyl)morpholin-4-yl]methyl]-1,3-thiazol-2-amine;hydrochloride.
What is the SMILES notation for 5-[[2-(3,4-difluorophenyl)morpholin-4-yl]methyl]-1,3-thiazol-2-amine;hydrochloride?
The canonical SMILES for 5-[[2-(3,4-difluorophenyl)morpholin-4-yl]methyl]-1,3-thiazol-2-amine;hydrochloride is Cl.Nc1ncc(CN2CCOC(c3ccc(F)c(F)c3)C2)s1.
What is the InChIKey of 5-[[2-(3,4-difluorophenyl)morpholin-4-yl]methyl]-1,3-thiazol-2-amine;hydrochloride?
The InChIKey is JAFVWTUUQWNSMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F2N3OS.ClH/c15-11-2-1-9(5-12(11)16)13-8-19(3-4-20-13)7-10-6-18-14(17)21-10;/h1-2,5-6,13H,3-4,7-8H2,(H2,17,18);1H.
What are the key properties of 5-[[2-(3,4-difluorophenyl)morpholin-4-yl]methyl]-1,3-thiazol-2-amine;hydrochloride?
5-[[2-(3,4-difluorophenyl)morpholin-4-yl]methyl]-1,3-thiazol-2-amine;hydrochloride has a molecular weight of 347.82 g/mol, XLogP of 3.00, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-(3,4-difluorophenyl)morpholin-4-yl]methyl]-1,3-thiazol-2-amine;hydrochloride is sourced from PubChem (CID 120899753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).