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

C15H18ClF2N3O3S2 — CID 119956995

IUPAC2-amino-N-[5-[(2,4-difluorophenyl)methyl]-1,3-thiazol-2-yl]-4-methylsulfonylbutanamide;hydrochloride
SMILESCS(=O)(=O)CCC(N)C(=O)Nc1ncc(Cc2ccc(F)cc2F)s1.Cl
InChIInChI=1S/C15H17F2N3O3S2.ClH/c1-25(22,23)5-4-13(18)14(21)20-15-19-8-11(24-15)6-9-2-3-10(16)7-12(9)17;/h2-3,7-8,13H,4-6,18H2,1H3,(H,19,20,21);1H
InChIKeyQDKQEASZWLUXHS-UHFFFAOYSA-N
MW425.91 g/mol
LogP2.13
Rot. Bonds7

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

2-amino-N-[5-[(2,4-difluorophenyl)methyl]-1,3-thiazol-2-yl]-4-methylsulfonylbutanamide;hydrochloride (PubChem CID 119956995) has the molecular formula C15H18ClF2N3O3S2 and a molecular weight of 425.91 g/mol. Its IUPAC name is 2-amino-N-[5-[(2,4-difluorophenyl)methyl]-1,3-thiazol-2-yl]-4-methylsulfonylbutanamide;hydrochloride.

Molecular Properties

Compound Name2-amino-N-[5-[(2,4-difluorophenyl)methyl]-1,3-thiazol-2-yl]-4-methylsulfonylbutanamide;hydrochloride
PubChem CID119956995
Molecular FormulaC15H18ClF2N3O3S2
Molecular Weight425.91 g/mol
Exact Mass425.04
IUPAC Name2-amino-N-[5-[(2,4-difluorophenyl)methyl]-1,3-thiazol-2-yl]-4-methylsulfonylbutanamide;hydrochloride
SMILESCS(=O)(=O)CCC(N)C(=O)Nc1ncc(Cc2ccc(F)cc2F)s1.Cl
InChIInChI=1S/C15H17F2N3O3S2.ClH/c1-25(22,23)5-4-13(18)14(21)20-15-19-8-11(24-15)6-9-2-3-10(16)7-12(9)17;/h2-3,7-8,13H,4-6,18H2,1H3,(H,19,20,21);1H
InChIKeyQDKQEASZWLUXHS-UHFFFAOYSA-N
XLogP2.13
TPSA102.15 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.91
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-amino-N-[5-[(2,4-difluorophenyl)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-fluorophenyl)methyl]-1,3-thiazol-2-yl]-4-methylsulfonylbutanamide;hydrochloride
CID 119956531
2-amino-N-[5-[(2,4-difluorophenyl)methyl]-1,3-thiazol-2-yl]-3-methoxypropanamide
CID 120987384
N-[5-[(2,4-difluorophenyl)methyl]-1,3-thiazol-2-yl]-2-methylsulfonylpropanamide
CID 51125724
2-amino-N-[5-[(3-fluoro-4-methylphenyl)methyl]-1,3-thiazol-2-yl]-4-methylsulfonylbutanamide
CID 119956534
(2S)-2-amino-N-[5-[(2,4-difluorophenyl)methyl]-1,3-thiazol-2-yl]-3-methylbutanamide
CID 119305393
2-amino-N-[5-[(2,4-difluorophenyl)methyl]-1,3-thiazol-2-yl]-2-methylpentanamide;hydrochloride
CID 119752322
2-amino-4-methylsulfonyl-N-(5-phenyl-1,3-thiazol-2-yl)butanamide
CID 119956548
2-(cyanomethylsulfanyl)-N-[5-[(2,4-difluorophenyl)methyl]-1,3-thiazol-2-yl]acetamide
CID 51092641
2-amino-N-(2-chloro-5-fluorophenyl)-4-methylsulfonylbutanamide
CID 103827501
N-[5-[(2-fluorophenyl)methyl]-1,3-thiazol-2-yl]acetamide
CID 2227870
2-amino-N-[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]-3-methoxypropanamide
CID 120984436
2-amino-N-(5-fluoro-4-methyl-1,3-benzothiazol-2-yl)-4-methylsulfonylbutanamide
CID 119957674

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[5-[(2,4-difluorophenyl)methyl]-1,3-thiazol-2-yl]-4-methylsulfonylbutanamide;hydrochloride?
The IUPAC name of 2-amino-N-[5-[(2,4-difluorophenyl)methyl]-1,3-thiazol-2-yl]-4-methylsulfonylbutanamide;hydrochloride (CID 119956995) is 2-amino-N-[5-[(2,4-difluorophenyl)methyl]-1,3-thiazol-2-yl]-4-methylsulfonylbutanamide;hydrochloride.
What is the SMILES notation for 2-amino-N-[5-[(2,4-difluorophenyl)methyl]-1,3-thiazol-2-yl]-4-methylsulfonylbutanamide;hydrochloride?
The canonical SMILES for 2-amino-N-[5-[(2,4-difluorophenyl)methyl]-1,3-thiazol-2-yl]-4-methylsulfonylbutanamide;hydrochloride is CS(=O)(=O)CCC(N)C(=O)Nc1ncc(Cc2ccc(F)cc2F)s1.Cl.
What is the InChIKey of 2-amino-N-[5-[(2,4-difluorophenyl)methyl]-1,3-thiazol-2-yl]-4-methylsulfonylbutanamide;hydrochloride?
The InChIKey is QDKQEASZWLUXHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F2N3O3S2.ClH/c1-25(22,23)5-4-13(18)14(21)20-15-19-8-11(24-15)6-9-2-3-10(16)7-12(9)17;/h2-3,7-8,13H,4-6,18H2,1H3,(H,19,20,21);1H.
What are the key properties of 2-amino-N-[5-[(2,4-difluorophenyl)methyl]-1,3-thiazol-2-yl]-4-methylsulfonylbutanamide;hydrochloride?
2-amino-N-[5-[(2,4-difluorophenyl)methyl]-1,3-thiazol-2-yl]-4-methylsulfonylbutanamide;hydrochloride has a molecular weight of 425.91 g/mol, XLogP of 2.13, 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-[(2,4-difluorophenyl)methyl]-1,3-thiazol-2-yl]-4-methylsulfonylbutanamide;hydrochloride is sourced from PubChem (CID 119956995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).