2-amino-N-[5-[(2-fluorophenyl)methyl]-1,3-thiazol-2-yl]-4-methylsulfonylbutanamide;hydrochloride

C15H19ClFN3O3S2 — CID 119956531

IUPAC2-amino-N-[5-[(2-fluorophenyl)methyl]-1,3-thiazol-2-yl]-4-methylsulfonylbutanamide;hydrochloride
SMILESCS(=O)(=O)CCC(N)C(=O)Nc1ncc(Cc2ccccc2F)s1.Cl
InChIInChI=1S/C15H18FN3O3S2.ClH/c1-24(21,22)7-6-13(17)14(20)19-15-18-9-11(23-15)8-10-4-2-3-5-12(10)16;/h2-5,9,13H,6-8,17H2,1H3,(H,18,19,20);1H
InChIKeyRLRORCFXQFOJQD-UHFFFAOYSA-N
MW407.92 g/mol
LogP2.00
Rot. Bonds7

About 2-amino-N-[5-[(2-fluorophenyl)methyl]-1,3-thiazol-2-yl]-4-methylsulfonylbutanamide;hydrochloride

2-amino-N-[5-[(2-fluorophenyl)methyl]-1,3-thiazol-2-yl]-4-methylsulfonylbutanamide;hydrochloride (PubChem CID 119956531) has the molecular formula C15H19ClFN3O3S2 and a molecular weight of 407.92 g/mol. Its IUPAC name is 2-amino-N-[5-[(2-fluorophenyl)methyl]-1,3-thiazol-2-yl]-4-methylsulfonylbutanamide;hydrochloride.

Molecular Properties

Compound Name2-amino-N-[5-[(2-fluorophenyl)methyl]-1,3-thiazol-2-yl]-4-methylsulfonylbutanamide;hydrochloride
PubChem CID119956531
Molecular FormulaC15H19ClFN3O3S2
Molecular Weight407.92 g/mol
Exact Mass407.05
IUPAC Name2-amino-N-[5-[(2-fluorophenyl)methyl]-1,3-thiazol-2-yl]-4-methylsulfonylbutanamide;hydrochloride
SMILESCS(=O)(=O)CCC(N)C(=O)Nc1ncc(Cc2ccccc2F)s1.Cl
InChIInChI=1S/C15H18FN3O3S2.ClH/c1-24(21,22)7-6-13(17)14(20)19-15-18-9-11(23-15)8-10-4-2-3-5-12(10)16;/h2-5,9,13H,6-8,17H2,1H3,(H,18,19,20);1H
InChIKeyRLRORCFXQFOJQD-UHFFFAOYSA-N
XLogP2.00
TPSA102.15 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.92
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-amino-N-[5-[(2-fluorophenyl)methyl]-1,3-thiazol-2-yl]-4-methylsulfonylbutanamide;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

2-amino-N-[5-[(2,4-difluorophenyl)methyl]-1,3-thiazol-2-yl]-4-methylsulfonylbutanamide;hydrochloride
CID 119956995
2-amino-N-[5-[(3-fluoro-4-methylphenyl)methyl]-1,3-thiazol-2-yl]-4-methylsulfonylbutanamide
CID 119956534
N-[5-[(2-fluorophenyl)methyl]-1,3-thiazol-2-yl]acetamide
CID 2227870
2-amino-4-methylsulfonyl-N-(5-phenyl-1,3-thiazol-2-yl)butanamide
CID 119956548
2-amino-N-[5-[(2,4-difluorophenyl)methyl]-1,3-thiazol-2-yl]-3-methoxypropanamide
CID 120987384
(2S)-2-amino-N-(5-benzyl-1,3-thiazol-2-yl)-4-methylsulfanylbutanamide;hydrochloride
CID 119270233
2-amino-N-[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]-3-methoxypropanamide
CID 120984436
N-[5-[(2,4-difluorophenyl)methyl]-1,3-thiazol-2-yl]-2-methylsulfonylpropanamide
CID 51125724
N-[5-[(2-fluorophenyl)methyl]-1,3-thiazol-2-yl]-4-methyl-1-methylsulfonylpiperidine-4-carboxamide
CID 164896241
N-[5-[(2-fluorophenyl)methyl]-1,3-thiazol-2-yl]-2-(2-methoxyethylamino)acetamide;hydrochloride
CID 119718760
(2S)-2-amino-N-[5-[(2,4-difluorophenyl)methyl]-1,3-thiazol-2-yl]-3-methylbutanamide
CID 119305393
3-[[5-[(2-fluorophenyl)methyl]-1,3-thiazol-2-yl]carbamoyl-methylamino]propanoic acid
CID 122093542

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[5-[(2-fluorophenyl)methyl]-1,3-thiazol-2-yl]-4-methylsulfonylbutanamide;hydrochloride?
The IUPAC name of 2-amino-N-[5-[(2-fluorophenyl)methyl]-1,3-thiazol-2-yl]-4-methylsulfonylbutanamide;hydrochloride (CID 119956531) is 2-amino-N-[5-[(2-fluorophenyl)methyl]-1,3-thiazol-2-yl]-4-methylsulfonylbutanamide;hydrochloride.
What is the SMILES notation for 2-amino-N-[5-[(2-fluorophenyl)methyl]-1,3-thiazol-2-yl]-4-methylsulfonylbutanamide;hydrochloride?
The canonical SMILES for 2-amino-N-[5-[(2-fluorophenyl)methyl]-1,3-thiazol-2-yl]-4-methylsulfonylbutanamide;hydrochloride is CS(=O)(=O)CCC(N)C(=O)Nc1ncc(Cc2ccccc2F)s1.Cl.
What is the InChIKey of 2-amino-N-[5-[(2-fluorophenyl)methyl]-1,3-thiazol-2-yl]-4-methylsulfonylbutanamide;hydrochloride?
The InChIKey is RLRORCFXQFOJQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FN3O3S2.ClH/c1-24(21,22)7-6-13(17)14(20)19-15-18-9-11(23-15)8-10-4-2-3-5-12(10)16;/h2-5,9,13H,6-8,17H2,1H3,(H,18,19,20);1H.
What are the key properties of 2-amino-N-[5-[(2-fluorophenyl)methyl]-1,3-thiazol-2-yl]-4-methylsulfonylbutanamide;hydrochloride?
2-amino-N-[5-[(2-fluorophenyl)methyl]-1,3-thiazol-2-yl]-4-methylsulfonylbutanamide;hydrochloride has a molecular weight of 407.92 g/mol, XLogP of 2.00, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[5-[(2-fluorophenyl)methyl]-1,3-thiazol-2-yl]-4-methylsulfonylbutanamide;hydrochloride is sourced from PubChem (CID 119956531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).