2-(4-fluorophenyl)-4-methyl-N-[2-(methylamino)propyl]-1,3-thiazole-5-carboxamide;dihydrochloride

C15H20Cl2FN3OS — CID 120828278

IUPAC2-(4-fluorophenyl)-4-methyl-N-[2-(methylamino)propyl]-1,3-thiazole-5-carboxamide;dihydrochloride
SMILESCNC(C)CNC(=O)c1sc(-c2ccc(F)cc2)nc1C.Cl.Cl
InChIInChI=1S/C15H18FN3OS.2ClH/c1-9(17-3)8-18-14(20)13-10(2)19-15(21-13)11-4-6-12(16)7-5-11;;/h4-7,9,17H,8H2,1-3H3,(H,18,20);2*1H
InChIKeyVSMALWVZTANJJT-UHFFFAOYSA-N
MW380.32 g/mol
LogP3.44
Rot. Bonds5

About 2-(4-fluorophenyl)-4-methyl-N-[2-(methylamino)propyl]-1,3-thiazole-5-carboxamide;dihydrochloride

2-(4-fluorophenyl)-4-methyl-N-[2-(methylamino)propyl]-1,3-thiazole-5-carboxamide;dihydrochloride (PubChem CID 120828278) has the molecular formula C15H20Cl2FN3OS and a molecular weight of 380.32 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-4-methyl-N-[2-(methylamino)propyl]-1,3-thiazole-5-carboxamide;dihydrochloride.

Molecular Properties

Compound Name2-(4-fluorophenyl)-4-methyl-N-[2-(methylamino)propyl]-1,3-thiazole-5-carboxamide;dihydrochloride
PubChem CID120828278
Molecular FormulaC15H20Cl2FN3OS
Molecular Weight380.32 g/mol
Exact Mass379.07
IUPAC Name2-(4-fluorophenyl)-4-methyl-N-[2-(methylamino)propyl]-1,3-thiazole-5-carboxamide;dihydrochloride
SMILESCNC(C)CNC(=O)c1sc(-c2ccc(F)cc2)nc1C.Cl.Cl
InChIInChI=1S/C15H18FN3OS.2ClH/c1-9(17-3)8-18-14(20)13-10(2)19-15(21-13)11-4-6-12(16)7-5-11;;/h4-7,9,17H,8H2,1-3H3,(H,18,20);2*1H
InChIKeyVSMALWVZTANJJT-UHFFFAOYSA-N
XLogP3.44
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.32
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2R)-2-(ethylamino)propyl]-2-(4-fluorophenyl)-4-methyl-1,3-thiazole-5-carboxamide;dihydrochloride
CID 120650920
2,4-dimethyl-N-[2-(methylamino)propyl]-1,3-thiazole-5-carboxamide;dihydrochloride
CID 120826574
2-(4-fluorophenyl)-4-methyl-N-(pyridin-4-ylmethyl)-1,3-thiazole-5-carboxamide
CID 17399055
(2R)-2-[[2-(4-fluorophenyl)-4-methyl-1,3-thiazole-5-carbonyl]amino]propanoic acid
CID 51663849
2-(4-fluorophenyl)-N-[(4-methoxyphenyl)methyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 9400718
2-(4-fluorophenyl)-N-(5-hydroxypentyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 108788207
N-[2-(diethylamino)ethyl]-2-(4-fluorophenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 30550510
2-(4-fluorophenyl)-4-methyl-N-[[2-(propan-2-yloxymethyl)phenyl]methyl]-1,3-thiazole-5-carboxamide
CID 38556512
[(2R)-1-(2-methylpropylamino)-1-oxopropan-2-yl] 2-(4-fluorophenyl)-4-methyl-1,3-thiazole-5-carboxylate
CID 9383883
2-(4-fluorophenyl)-4-methyl-N'-(2-methylbenzoyl)-1,3-thiazole-5-carbohydrazide
CID 46636454
2-(4-fluorophenyl)-4-methyl-N-(2-methylpropyl)-N-propan-2-yl-1,3-thiazole-5-carboxamide
CID 47029764
2-(4-fluorophenyl)-4-methyl-N-[2-(N-methylanilino)ethyl]-1,3-thiazole-5-carboxamide
CID 24552841

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-4-methyl-N-[2-(methylamino)propyl]-1,3-thiazole-5-carboxamide;dihydrochloride?
The IUPAC name of 2-(4-fluorophenyl)-4-methyl-N-[2-(methylamino)propyl]-1,3-thiazole-5-carboxamide;dihydrochloride (CID 120828278) is 2-(4-fluorophenyl)-4-methyl-N-[2-(methylamino)propyl]-1,3-thiazole-5-carboxamide;dihydrochloride.
What is the SMILES notation for 2-(4-fluorophenyl)-4-methyl-N-[2-(methylamino)propyl]-1,3-thiazole-5-carboxamide;dihydrochloride?
The canonical SMILES for 2-(4-fluorophenyl)-4-methyl-N-[2-(methylamino)propyl]-1,3-thiazole-5-carboxamide;dihydrochloride is CNC(C)CNC(=O)c1sc(-c2ccc(F)cc2)nc1C.Cl.Cl.
What is the InChIKey of 2-(4-fluorophenyl)-4-methyl-N-[2-(methylamino)propyl]-1,3-thiazole-5-carboxamide;dihydrochloride?
The InChIKey is VSMALWVZTANJJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FN3OS.2ClH/c1-9(17-3)8-18-14(20)13-10(2)19-15(21-13)11-4-6-12(16)7-5-11;;/h4-7,9,17H,8H2,1-3H3,(H,18,20);2*1H.
What are the key properties of 2-(4-fluorophenyl)-4-methyl-N-[2-(methylamino)propyl]-1,3-thiazole-5-carboxamide;dihydrochloride?
2-(4-fluorophenyl)-4-methyl-N-[2-(methylamino)propyl]-1,3-thiazole-5-carboxamide;dihydrochloride has a molecular weight of 380.32 g/mol, XLogP of 3.44, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-4-methyl-N-[2-(methylamino)propyl]-1,3-thiazole-5-carboxamide;dihydrochloride is sourced from PubChem (CID 120828278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).