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

C16H22Cl2FN3OS — CID 120650920

IUPACN-[(2R)-2-(ethylamino)propyl]-2-(4-fluorophenyl)-4-methyl-1,3-thiazole-5-carboxamide;dihydrochloride
SMILESCCN[C@H](C)CNC(=O)c1sc(-c2ccc(F)cc2)nc1C.Cl.Cl
InChIInChI=1S/C16H20FN3OS.2ClH/c1-4-18-10(2)9-19-15(21)14-11(3)20-16(22-14)12-5-7-13(17)8-6-12;;/h5-8,10,18H,4,9H2,1-3H3,(H,19,21);2*1H/t10-;;/m1../s1
InChIKeyACGSXFJDQNRIBG-YQFADDPSSA-N
MW394.34 g/mol
LogP3.83
Rot. Bonds6

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

N-[(2R)-2-(ethylamino)propyl]-2-(4-fluorophenyl)-4-methyl-1,3-thiazole-5-carboxamide;dihydrochloride (PubChem CID 120650920) has the molecular formula C16H22Cl2FN3OS and a molecular weight of 394.34 g/mol. Its IUPAC name is N-[(2R)-2-(ethylamino)propyl]-2-(4-fluorophenyl)-4-methyl-1,3-thiazole-5-carboxamide;dihydrochloride.

Molecular Properties

Compound NameN-[(2R)-2-(ethylamino)propyl]-2-(4-fluorophenyl)-4-methyl-1,3-thiazole-5-carboxamide;dihydrochloride
PubChem CID120650920
Molecular FormulaC16H22Cl2FN3OS
Molecular Weight394.34 g/mol
Exact Mass393.08
IUPAC NameN-[(2R)-2-(ethylamino)propyl]-2-(4-fluorophenyl)-4-methyl-1,3-thiazole-5-carboxamide;dihydrochloride
SMILESCCN[C@H](C)CNC(=O)c1sc(-c2ccc(F)cc2)nc1C.Cl.Cl
InChIInChI=1S/C16H20FN3OS.2ClH/c1-4-18-10(2)9-19-15(21)14-11(3)20-16(22-14)12-5-7-13(17)8-6-12;;/h5-8,10,18H,4,9H2,1-3H3,(H,19,21);2*1H/t10-;;/m1../s1
InChIKeyACGSXFJDQNRIBG-YQFADDPSSA-N
XLogP3.83
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.34
LogP ≤ 53.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-fluorophenyl)-4-methyl-N-[2-(methylamino)propyl]-1,3-thiazole-5-carboxamide;dihydrochloride
CID 120828278
N-[2-(diethylamino)ethyl]-2-(4-fluorophenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 30550510
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
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
N-(3-amino-2-methylpropyl)-2-(4-ethoxyphenyl)-4-methyl-1,3-thiazole-5-carboxamide;dihydrochloride
CID 119997436
2-[[2-(4-fluorophenyl)-4-methyl-1,3-thiazole-5-carbonyl]amino]-2-phenylacetic acid
CID 74586861
2-(4-fluorophenyl)-4-methyl-N-(2-methylpropyl)-N-propan-2-yl-1,3-thiazole-5-carboxamide
CID 47029764
4-[[2-(4-fluorophenyl)-4-methyl-1,3-thiazole-5-carbonyl]amino]-4-methylpentanoic acid
CID 119204182

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-(ethylamino)propyl]-2-(4-fluorophenyl)-4-methyl-1,3-thiazole-5-carboxamide;dihydrochloride?
The IUPAC name of N-[(2R)-2-(ethylamino)propyl]-2-(4-fluorophenyl)-4-methyl-1,3-thiazole-5-carboxamide;dihydrochloride (CID 120650920) is N-[(2R)-2-(ethylamino)propyl]-2-(4-fluorophenyl)-4-methyl-1,3-thiazole-5-carboxamide;dihydrochloride.
What is the SMILES notation for N-[(2R)-2-(ethylamino)propyl]-2-(4-fluorophenyl)-4-methyl-1,3-thiazole-5-carboxamide;dihydrochloride?
The canonical SMILES for N-[(2R)-2-(ethylamino)propyl]-2-(4-fluorophenyl)-4-methyl-1,3-thiazole-5-carboxamide;dihydrochloride is CCN[C@H](C)CNC(=O)c1sc(-c2ccc(F)cc2)nc1C.Cl.Cl.
What is the InChIKey of N-[(2R)-2-(ethylamino)propyl]-2-(4-fluorophenyl)-4-methyl-1,3-thiazole-5-carboxamide;dihydrochloride?
The InChIKey is ACGSXFJDQNRIBG-YQFADDPSSA-N. The full InChI is InChI=1S/C16H20FN3OS.2ClH/c1-4-18-10(2)9-19-15(21)14-11(3)20-16(22-14)12-5-7-13(17)8-6-12;;/h5-8,10,18H,4,9H2,1-3H3,(H,19,21);2*1H/t10-;;/m1../s1.
What are the key properties of N-[(2R)-2-(ethylamino)propyl]-2-(4-fluorophenyl)-4-methyl-1,3-thiazole-5-carboxamide;dihydrochloride?
N-[(2R)-2-(ethylamino)propyl]-2-(4-fluorophenyl)-4-methyl-1,3-thiazole-5-carboxamide;dihydrochloride has a molecular weight of 394.34 g/mol, XLogP of 3.83, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-(ethylamino)propyl]-2-(4-fluorophenyl)-4-methyl-1,3-thiazole-5-carboxamide;dihydrochloride is sourced from PubChem (CID 120650920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).