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

C15H19ClFN3OS — CID 119694884

IUPAC2-amino-N-[4-(3-fluorophenyl)-1,3-thiazol-2-yl]-3-methylpentanamide;hydrochloride
SMILESCCC(C)C(N)C(=O)Nc1nc(-c2cccc(F)c2)cs1.Cl
InChIInChI=1S/C15H18FN3OS.ClH/c1-3-9(2)13(17)14(20)19-15-18-12(8-21-15)10-5-4-6-11(16)7-10;/h4-9,13H,3,17H2,1-2H3,(H,18,19,20);1H
InChIKeySSDVGLJLHWUABR-UHFFFAOYSA-N
MW343.86 g/mol
LogP3.68
Rot. Bonds5

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

2-amino-N-[4-(3-fluorophenyl)-1,3-thiazol-2-yl]-3-methylpentanamide;hydrochloride (PubChem CID 119694884) has the molecular formula C15H19ClFN3OS and a molecular weight of 343.86 g/mol. Its IUPAC name is 2-amino-N-[4-(3-fluorophenyl)-1,3-thiazol-2-yl]-3-methylpentanamide;hydrochloride.

Molecular Properties

Compound Name2-amino-N-[4-(3-fluorophenyl)-1,3-thiazol-2-yl]-3-methylpentanamide;hydrochloride
PubChem CID119694884
Molecular FormulaC15H19ClFN3OS
Molecular Weight343.86 g/mol
Exact Mass343.09
IUPAC Name2-amino-N-[4-(3-fluorophenyl)-1,3-thiazol-2-yl]-3-methylpentanamide;hydrochloride
SMILESCCC(C)C(N)C(=O)Nc1nc(-c2cccc(F)c2)cs1.Cl
InChIInChI=1S/C15H18FN3OS.ClH/c1-3-9(2)13(17)14(20)19-15-18-12(8-21-15)10-5-4-6-11(16)7-10;/h4-9,13H,3,17H2,1-2H3,(H,18,19,20);1H
InChIKeySSDVGLJLHWUABR-UHFFFAOYSA-N
XLogP3.68
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.86
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-amino-N-[4-(3-fluorophenyl)-1,3-thiazol-2-yl]-4-methylpentanamide
CID 119694895
N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-2-amino-3-methylpentanamide
CID 119676269
(2S)-N-[4-(3-fluorophenyl)-1,3-thiazol-2-yl]-2-(3-methylphenoxy)propanamide
CID 32622848
2-amino-N-(4-phenyl-1,3-thiazol-2-yl)butanamide
CID 139386677
4-(3-fluorophenyl)-N-(2-methylpropyl)-1,3-thiazol-2-amine
CID 9420037
(2S)-2-amino-N-(4-phenyl-1,3-thiazol-2-yl)propanamide;hydrochloride
CID 153333164
2-amino-3-methyl-N-(4-propan-2-yl-1,3-thiazol-2-yl)pentanamide
CID 54958530
N-[4-(3-fluorophenyl)-1,3-thiazol-2-yl]-2-[2-(4-methylanilino)-2-oxoethyl]sulfanylpropanamide
CID 55431337
4-(3-fluorophenyl)-N-propan-2-yl-1,3-thiazol-2-amine
CID 60675825
2-amino-N-[4-(3-bromophenyl)-1,3-thiazol-2-yl]pentanamide;hydrochloride
CID 119264520
(2S)-2-amino-N-[4-(3-fluoro-4-methoxyphenyl)-1,3-thiazol-2-yl]-3-methylbutanamide
CID 119271820
2-fluoro-N-[4-(3-fluorophenyl)-1,3-thiazol-2-yl]benzamide
CID 36539454

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[4-(3-fluorophenyl)-1,3-thiazol-2-yl]-3-methylpentanamide;hydrochloride?
The IUPAC name of 2-amino-N-[4-(3-fluorophenyl)-1,3-thiazol-2-yl]-3-methylpentanamide;hydrochloride (CID 119694884) is 2-amino-N-[4-(3-fluorophenyl)-1,3-thiazol-2-yl]-3-methylpentanamide;hydrochloride.
What is the SMILES notation for 2-amino-N-[4-(3-fluorophenyl)-1,3-thiazol-2-yl]-3-methylpentanamide;hydrochloride?
The canonical SMILES for 2-amino-N-[4-(3-fluorophenyl)-1,3-thiazol-2-yl]-3-methylpentanamide;hydrochloride is CCC(C)C(N)C(=O)Nc1nc(-c2cccc(F)c2)cs1.Cl.
What is the InChIKey of 2-amino-N-[4-(3-fluorophenyl)-1,3-thiazol-2-yl]-3-methylpentanamide;hydrochloride?
The InChIKey is SSDVGLJLHWUABR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FN3OS.ClH/c1-3-9(2)13(17)14(20)19-15-18-12(8-21-15)10-5-4-6-11(16)7-10;/h4-9,13H,3,17H2,1-2H3,(H,18,19,20);1H.
What are the key properties of 2-amino-N-[4-(3-fluorophenyl)-1,3-thiazol-2-yl]-3-methylpentanamide;hydrochloride?
2-amino-N-[4-(3-fluorophenyl)-1,3-thiazol-2-yl]-3-methylpentanamide;hydrochloride has a molecular weight of 343.86 g/mol, XLogP of 3.68, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[4-(3-fluorophenyl)-1,3-thiazol-2-yl]-3-methylpentanamide;hydrochloride is sourced from PubChem (CID 119694884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).