2-(aminomethyl)-N-(3-fluoro-5-morpholin-4-ylphenyl)-1,3-thiazole-4-carboxamide;dihydrochloride

C15H19Cl2FN4O2S — CID 119871793

IUPAC2-(aminomethyl)-N-(3-fluoro-5-morpholin-4-ylphenyl)-1,3-thiazole-4-carboxamide;dihydrochloride
SMILESCl.Cl.NCc1nc(C(=O)Nc2cc(F)cc(N3CCOCC3)c2)cs1
InChIInChI=1S/C15H17FN4O2S.2ClH/c16-10-5-11(7-12(6-10)20-1-3-22-4-2-20)18-15(21)13-9-23-14(8-17)19-13;;/h5-7,9H,1-4,8,17H2,(H,18,21);2*1H
InChIKeyWVHRGHZEFUTLRU-UHFFFAOYSA-N
MW409.31 g/mol
LogP2.67
Rot. Bonds4

About 2-(aminomethyl)-N-(3-fluoro-5-morpholin-4-ylphenyl)-1,3-thiazole-4-carboxamide;dihydrochloride

2-(aminomethyl)-N-(3-fluoro-5-morpholin-4-ylphenyl)-1,3-thiazole-4-carboxamide;dihydrochloride (PubChem CID 119871793) has the molecular formula C15H19Cl2FN4O2S and a molecular weight of 409.31 g/mol. Its IUPAC name is 2-(aminomethyl)-N-(3-fluoro-5-morpholin-4-ylphenyl)-1,3-thiazole-4-carboxamide;dihydrochloride.

Molecular Properties

Compound Name2-(aminomethyl)-N-(3-fluoro-5-morpholin-4-ylphenyl)-1,3-thiazole-4-carboxamide;dihydrochloride
PubChem CID119871793
Molecular FormulaC15H19Cl2FN4O2S
Molecular Weight409.31 g/mol
Exact Mass408.06
IUPAC Name2-(aminomethyl)-N-(3-fluoro-5-morpholin-4-ylphenyl)-1,3-thiazole-4-carboxamide;dihydrochloride
SMILESCl.Cl.NCc1nc(C(=O)Nc2cc(F)cc(N3CCOCC3)c2)cs1
InChIInChI=1S/C15H17FN4O2S.2ClH/c16-10-5-11(7-12(6-10)20-1-3-22-4-2-20)18-15(21)13-9-23-14(8-17)19-13;;/h5-7,9H,1-4,8,17H2,(H,18,21);2*1H
InChIKeyWVHRGHZEFUTLRU-UHFFFAOYSA-N
XLogP2.67
TPSA80.48 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.31
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-(aminomethyl)-N-(6-morpholin-4-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;dihydrochloride
CID 119839710
2-(aminomethyl)-N-[4-(morpholin-4-ylmethyl)phenyl]-1,3-thiazole-4-carboxamide
CID 119832087
2-(aminomethyl)-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]-1,3-thiazole-4-carboxamide;dihydrochloride
CID 119835012
2-amino-N-(3-fluoro-5-morpholin-4-ylphenyl)-2-(oxan-4-yl)acetamide
CID 120799542
2-(aminomethyl)-N-(2,3,4,5,6-pentafluorophenyl)-1,3-thiazole-4-carboxamide
CID 115564435
[2-(aminomethyl)-1,3-thiazol-4-yl]-morpholin-4-ylmethanone
CID 66376431
2-(aminomethyl)-N-(2,3,5-trifluorophenyl)-1,3-thiazole-4-carboxamide
CID 66376335
2-(aminomethyl)-N-(4-bromo-3,5-dimethylphenyl)-1,3-thiazole-4-carboxamide
CID 107574146
2-(aminomethyl)-N-[4-[[2-(azepan-1-yl)acetyl]amino]phenyl]-1,3-thiazole-4-carboxamide
CID 119848862
2-(aminomethyl)-N-[3-(thiomorpholin-4-ylmethyl)phenyl]-1,3-thiazole-4-carboxamide;dihydrochloride
CID 119869794
2-(aminomethyl)-N-pyridin-4-yl-1,3-thiazole-4-carboxamide
CID 66378569
1-amino-N-(3-fluoro-5-morpholin-4-ylphenyl)cyclohexane-1-carboxamide
CID 119871802

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-(3-fluoro-5-morpholin-4-ylphenyl)-1,3-thiazole-4-carboxamide;dihydrochloride?
The IUPAC name of 2-(aminomethyl)-N-(3-fluoro-5-morpholin-4-ylphenyl)-1,3-thiazole-4-carboxamide;dihydrochloride (CID 119871793) is 2-(aminomethyl)-N-(3-fluoro-5-morpholin-4-ylphenyl)-1,3-thiazole-4-carboxamide;dihydrochloride.
What is the SMILES notation for 2-(aminomethyl)-N-(3-fluoro-5-morpholin-4-ylphenyl)-1,3-thiazole-4-carboxamide;dihydrochloride?
The canonical SMILES for 2-(aminomethyl)-N-(3-fluoro-5-morpholin-4-ylphenyl)-1,3-thiazole-4-carboxamide;dihydrochloride is Cl.Cl.NCc1nc(C(=O)Nc2cc(F)cc(N3CCOCC3)c2)cs1.
What is the InChIKey of 2-(aminomethyl)-N-(3-fluoro-5-morpholin-4-ylphenyl)-1,3-thiazole-4-carboxamide;dihydrochloride?
The InChIKey is WVHRGHZEFUTLRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN4O2S.2ClH/c16-10-5-11(7-12(6-10)20-1-3-22-4-2-20)18-15(21)13-9-23-14(8-17)19-13;;/h5-7,9H,1-4,8,17H2,(H,18,21);2*1H.
What are the key properties of 2-(aminomethyl)-N-(3-fluoro-5-morpholin-4-ylphenyl)-1,3-thiazole-4-carboxamide;dihydrochloride?
2-(aminomethyl)-N-(3-fluoro-5-morpholin-4-ylphenyl)-1,3-thiazole-4-carboxamide;dihydrochloride has a molecular weight of 409.31 g/mol, XLogP of 2.67, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-(3-fluoro-5-morpholin-4-ylphenyl)-1,3-thiazole-4-carboxamide;dihydrochloride is sourced from PubChem (CID 119871793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).