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

C16H20ClF2N3OS — CID 119752322

IUPAC2-amino-N-[5-[(2,4-difluorophenyl)methyl]-1,3-thiazol-2-yl]-2-methylpentanamide;hydrochloride
SMILESCCCC(C)(N)C(=O)Nc1ncc(Cc2ccc(F)cc2F)s1.Cl
InChIInChI=1S/C16H19F2N3OS.ClH/c1-3-6-16(2,19)14(22)21-15-20-9-12(23-15)7-10-4-5-11(17)8-13(10)18;/h4-5,8-9H,3,6-7,19H2,1-2H3,(H,20,21,22);1H
InChIKeyHBBZIMUXMPTPCS-UHFFFAOYSA-N
MW375.87 g/mol
LogP3.89
Rot. Bonds6

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

2-amino-N-[5-[(2,4-difluorophenyl)methyl]-1,3-thiazol-2-yl]-2-methylpentanamide;hydrochloride (PubChem CID 119752322) has the molecular formula C16H20ClF2N3OS and a molecular weight of 375.87 g/mol. Its IUPAC name is 2-amino-N-[5-[(2,4-difluorophenyl)methyl]-1,3-thiazol-2-yl]-2-methylpentanamide;hydrochloride.

Molecular Properties

Compound Name2-amino-N-[5-[(2,4-difluorophenyl)methyl]-1,3-thiazol-2-yl]-2-methylpentanamide;hydrochloride
PubChem CID119752322
Molecular FormulaC16H20ClF2N3OS
Molecular Weight375.87 g/mol
Exact Mass375.10
IUPAC Name2-amino-N-[5-[(2,4-difluorophenyl)methyl]-1,3-thiazol-2-yl]-2-methylpentanamide;hydrochloride
SMILESCCCC(C)(N)C(=O)Nc1ncc(Cc2ccc(F)cc2F)s1.Cl
InChIInChI=1S/C16H19F2N3OS.ClH/c1-3-6-16(2,19)14(22)21-15-20-9-12(23-15)7-10-4-5-11(17)8-13(10)18;/h4-5,8-9H,3,6-7,19H2,1-2H3,(H,20,21,22);1H
InChIKeyHBBZIMUXMPTPCS-UHFFFAOYSA-N
XLogP3.89
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.87
LogP ≤ 53.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-(5-benzyl-1,3-thiazol-2-yl)-2-methylpentanamide
CID 119687594
(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]-3-methoxypropanamide
CID 120987384
2-amino-N-[5-[(2,4-difluorophenyl)methyl]-1,3-thiazol-2-yl]-4-methylsulfonylbutanamide;hydrochloride
CID 119956995
N-[5-[(2,4-difluorophenyl)methyl]-1,3-thiazol-2-yl]-2-methylsulfonylpropanamide
CID 51125724
(E)-N-[5-[(2,4-difluorophenyl)methyl]-1,3-thiazol-2-yl]-3-(furan-2-yl)prop-2-enamide
CID 60578713
N-[5-[(2,4-difluorophenyl)methyl]-1,3-thiazol-2-yl]-2-pyrrolidin-2-ylacetamide
CID 119751025
2-(cyanomethylsulfanyl)-N-[5-[(2,4-difluorophenyl)methyl]-1,3-thiazol-2-yl]acetamide
CID 51092641
ethyl 3-[[5-[(2,4-difluorophenyl)methyl]-1,3-thiazol-2-yl]carbamoyl]-5-nitrobenzoate
CID 60578603
5-[(2,4-difluorophenyl)methyl]-2-ethyl-1,3-thiazole
CID 130314674
N-[5-[(2,5-difluorophenyl)methyl]-1,3-thiazol-2-yl]-3-methyloxetane-3-carboxamide
CID 167327143
N-[5-[(2,4-difluorophenyl)methyl]-1,3-thiazol-2-yl]-3-pyridin-3-ylpropanamide
CID 60578895

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[5-[(2,4-difluorophenyl)methyl]-1,3-thiazol-2-yl]-2-methylpentanamide;hydrochloride?
The IUPAC name of 2-amino-N-[5-[(2,4-difluorophenyl)methyl]-1,3-thiazol-2-yl]-2-methylpentanamide;hydrochloride (CID 119752322) is 2-amino-N-[5-[(2,4-difluorophenyl)methyl]-1,3-thiazol-2-yl]-2-methylpentanamide;hydrochloride.
What is the SMILES notation for 2-amino-N-[5-[(2,4-difluorophenyl)methyl]-1,3-thiazol-2-yl]-2-methylpentanamide;hydrochloride?
The canonical SMILES for 2-amino-N-[5-[(2,4-difluorophenyl)methyl]-1,3-thiazol-2-yl]-2-methylpentanamide;hydrochloride is CCCC(C)(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]-2-methylpentanamide;hydrochloride?
The InChIKey is HBBZIMUXMPTPCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19F2N3OS.ClH/c1-3-6-16(2,19)14(22)21-15-20-9-12(23-15)7-10-4-5-11(17)8-13(10)18;/h4-5,8-9H,3,6-7,19H2,1-2H3,(H,20,21,22);1H.
What are the key properties of 2-amino-N-[5-[(2,4-difluorophenyl)methyl]-1,3-thiazol-2-yl]-2-methylpentanamide;hydrochloride?
2-amino-N-[5-[(2,4-difluorophenyl)methyl]-1,3-thiazol-2-yl]-2-methylpentanamide;hydrochloride has a molecular weight of 375.87 g/mol, XLogP of 3.89, 6 rotatable bonds, 2 hydrogen bond donors, and 4 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]-2-methylpentanamide;hydrochloride is sourced from PubChem (CID 119752322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).