N-[4-[(3-amino-4-methylpyrrolidin-1-yl)methyl]-1,3-thiazol-2-yl]-N-(4-fluorophenyl)acetamide;hydrochloride

C17H22ClFN4OS — CID 120909039

IUPACN-[4-[(3-amino-4-methylpyrrolidin-1-yl)methyl]-1,3-thiazol-2-yl]-N-(4-fluorophenyl)acetamide;hydrochloride
SMILESCC(=O)N(c1ccc(F)cc1)c1nc(CN2CC(C)C(N)C2)cs1.Cl
InChIInChI=1S/C17H21FN4OS.ClH/c1-11-7-21(9-16(11)19)8-14-10-24-17(20-14)22(12(2)23)15-5-3-13(18)4-6-15;/h3-6,10-11,16H,7-9,19H2,1-2H3;1H
InChIKeyRGRYYMFNPQEEKG-UHFFFAOYSA-N
MW384.91 g/mol
LogP3.17
Rot. Bonds4

About N-[4-[(3-amino-4-methylpyrrolidin-1-yl)methyl]-1,3-thiazol-2-yl]-N-(4-fluorophenyl)acetamide;hydrochloride

N-[4-[(3-amino-4-methylpyrrolidin-1-yl)methyl]-1,3-thiazol-2-yl]-N-(4-fluorophenyl)acetamide;hydrochloride (PubChem CID 120909039) has the molecular formula C17H22ClFN4OS and a molecular weight of 384.91 g/mol. Its IUPAC name is N-[4-[(3-amino-4-methylpyrrolidin-1-yl)methyl]-1,3-thiazol-2-yl]-N-(4-fluorophenyl)acetamide;hydrochloride.

Molecular Properties

Compound NameN-[4-[(3-amino-4-methylpyrrolidin-1-yl)methyl]-1,3-thiazol-2-yl]-N-(4-fluorophenyl)acetamide;hydrochloride
PubChem CID120909039
Molecular FormulaC17H22ClFN4OS
Molecular Weight384.91 g/mol
Exact Mass384.12
IUPAC NameN-[4-[(3-amino-4-methylpyrrolidin-1-yl)methyl]-1,3-thiazol-2-yl]-N-(4-fluorophenyl)acetamide;hydrochloride
SMILESCC(=O)N(c1ccc(F)cc1)c1nc(CN2CC(C)C(N)C2)cs1.Cl
InChIInChI=1S/C17H21FN4OS.ClH/c1-11-7-21(9-16(11)19)8-14-10-24-17(20-14)22(12(2)23)15-5-3-13(18)4-6-15;/h3-6,10-11,16H,7-9,19H2,1-2H3;1H
InChIKeyRGRYYMFNPQEEKG-UHFFFAOYSA-N
XLogP3.17
TPSA62.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.91
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-[(3-amino-4-methylpyrrolidin-1-yl)methyl]-1,3-thiazol-2-yl]-N-(4-methylphenyl)acetamide
CID 120909382
N-[4-[(2,5-dimethylpiperazin-1-yl)methyl]-1,3-thiazol-2-yl]-N-(4-methylphenyl)acetamide;hydrochloride
CID 120906158
N-(4-methylphenyl)-N-[4-[(3-piperazin-1-ylpyrrolidin-1-yl)methyl]-1,3-thiazol-2-yl]acetamide;hydrochloride
CID 120968058
N-[4-[[(3S,5S)-3,5-dimethylpiperidin-1-yl]methyl]-1,3-thiazol-2-yl]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 8539556
N-[4-[[4-[(4-chlorophenyl)methyl]piperazin-1-yl]methyl]-1,3-thiazol-2-yl]-N-(4-methylphenyl)acetamide
CID 55986998
N-[[1-[[2-(N-acetyl-4-methylanilino)-1,3-thiazol-4-yl]methyl]piperidin-4-yl]methyl]acetamide
CID 47524748
1-[(4-fluorophenyl)methyl]-4-methylpyrrolidin-3-amine
CID 103575513
1-[[2-(4-chlorophenyl)-1,3-thiazol-4-yl]methyl]-4-methylpyrrolidin-3-amine
CID 120909373
N-[4-[[4-[(2-methylphenyl)methyl]piperazin-1-yl]methyl]-1,3-thiazol-2-yl]-N-phenylacetamide
CID 8596103
[2-(N-acetyl-4-methylanilino)-1,3-thiazol-4-yl]methyl 1-[(4-fluorophenyl)methyl]-6-oxo-4,5-dihydropyridazine-3-carboxylate
CID 138996715
N-[4-[[(4-hydroxypyrrolidin-3-yl)methylamino]methyl]-1,3-thiazol-2-yl]-N-(4-methylphenyl)acetamide;hydrochloride
CID 120963160
1-[[2-(3-bromophenyl)-1,3-thiazol-4-yl]methyl]-4-methylpyrrolidin-3-amine;hydrochloride
CID 120908908

Frequently Asked Questions

What is the IUPAC name of N-[4-[(3-amino-4-methylpyrrolidin-1-yl)methyl]-1,3-thiazol-2-yl]-N-(4-fluorophenyl)acetamide;hydrochloride?
The IUPAC name of N-[4-[(3-amino-4-methylpyrrolidin-1-yl)methyl]-1,3-thiazol-2-yl]-N-(4-fluorophenyl)acetamide;hydrochloride (CID 120909039) is N-[4-[(3-amino-4-methylpyrrolidin-1-yl)methyl]-1,3-thiazol-2-yl]-N-(4-fluorophenyl)acetamide;hydrochloride.
What is the SMILES notation for N-[4-[(3-amino-4-methylpyrrolidin-1-yl)methyl]-1,3-thiazol-2-yl]-N-(4-fluorophenyl)acetamide;hydrochloride?
The canonical SMILES for N-[4-[(3-amino-4-methylpyrrolidin-1-yl)methyl]-1,3-thiazol-2-yl]-N-(4-fluorophenyl)acetamide;hydrochloride is CC(=O)N(c1ccc(F)cc1)c1nc(CN2CC(C)C(N)C2)cs1.Cl.
What is the InChIKey of N-[4-[(3-amino-4-methylpyrrolidin-1-yl)methyl]-1,3-thiazol-2-yl]-N-(4-fluorophenyl)acetamide;hydrochloride?
The InChIKey is RGRYYMFNPQEEKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21FN4OS.ClH/c1-11-7-21(9-16(11)19)8-14-10-24-17(20-14)22(12(2)23)15-5-3-13(18)4-6-15;/h3-6,10-11,16H,7-9,19H2,1-2H3;1H.
What are the key properties of N-[4-[(3-amino-4-methylpyrrolidin-1-yl)methyl]-1,3-thiazol-2-yl]-N-(4-fluorophenyl)acetamide;hydrochloride?
N-[4-[(3-amino-4-methylpyrrolidin-1-yl)methyl]-1,3-thiazol-2-yl]-N-(4-fluorophenyl)acetamide;hydrochloride has a molecular weight of 384.91 g/mol, XLogP of 3.17, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(3-amino-4-methylpyrrolidin-1-yl)methyl]-1,3-thiazol-2-yl]-N-(4-fluorophenyl)acetamide;hydrochloride is sourced from PubChem (CID 120909039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).